1-Ethynylcyclopropane-1-sulfonamide - CAS 1108658-43-0
Catalog: |
BB002680 |
Product Name: |
1-Ethynylcyclopropane-1-sulfonamide |
CAS: |
1108658-43-0 |
Synonyms: |
1-ethynyl-1-cyclopropanesulfonamide; 1-ethynylcyclopropane-1-sulfonamide |
IUPAC Name: | 1-ethynylcyclopropane-1-sulfonamide |
Description: | 1-Ethynylcyclopropane-1-sulfonamide (CAS# 1108658-43-0) is a reagent used in homoserine-based inhibitors of the hepatitis C virus NS3/4A serine protease. |
Molecular Weight: | 145.18 |
Molecular Formula: | C5H7NO2S |
Canonical SMILES: | C#CC1(CC1)S(=O)(=O)N |
InChI: | InChI=1S/C5H7NO2S/c1-2-5(3-4-5)9(6,7)8/h1H,3-4H2,(H2,6,7,8) |
InChI Key: | ONTVIFURVDNFRH-UHFFFAOYSA-N |
LogP: | 1.22180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012101032-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | 20101022 |
WO-2012054874-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | 20101022 |
AU-2009210789-A1 | Macrocyclic serine protease inhibitors | 20080204 |
AU-2009210789-B2 | Macrocyclic serine protease inhibitors | 20080204 |
CA-2712971-A1 | Macrocyclic serine protease inhibitors | 20080204 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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