4-Amino-1-methanesulfonylpiperidine - CAS 402927-97-3

Catalog:	BB024433
Product Name:	4-Amino-1-methanesulfonylpiperidine
CAS:	402927-97-3
Synonyms:	1-methylsulfonyl-4-piperidinamine; 1-methylsulfonylpiperidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-methylsulfonylpiperidin-4-amine
Description:	4-Amino-1-methanesulfonylpiperidine (CAS# 402927-97-3) is a useful research chemical for organic synthesis and in the preparation of pharmaceutical compositions.
Molecular Weight:	178.25
Molecular Formula:	C6H14N2O2S
Canonical SMILES:	CS(=O)(=O)N1CCC(CC1)N
InChI:	InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
InChI Key:	FLQSRSQNICPZIH-UHFFFAOYSA-N
Boiling Point:	296 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	1.08810

Publication Number	Title	Priority Date
CN-113200983-A	Compound with pyrrolopyridine structure, preparation method and medical application	20210522
WO-2021170076-A1	Compounds as cdk2/4/6 inhibitors	20200228
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
WO-2021084765-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031
WO-2021085653-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.07759887
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.07759887
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9