N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide

C6H6ClNOS2 — CID 115166906

IUPACN-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)s1
InChIInChI=1S/C6H6ClNOS2/c7-4-1-2-6(11-4)8-5(9)3-10/h1-2,10H,3H2,(H,8,9)
InChIKeyJGMRRBAQFXVVRV-UHFFFAOYSA-N
MW207.71 g/mol
LogP2.27
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide

N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide (PubChem CID 115166906) has the molecular formula C6H6ClNOS2 and a molecular weight of 207.71 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
PubChem CID115166906
Molecular FormulaC6H6ClNOS2
Molecular Weight207.71 g/mol
Exact Mass206.96
IUPAC NameN-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)s1
InChIInChI=1S/C6H6ClNOS2/c7-4-1-2-6(11-4)8-5(9)3-10/h1-2,10H,3H2,(H,8,9)
InChIKeyJGMRRBAQFXVVRV-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 115156873
1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
CID 117235314
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
4-[(5-chlorothiophen-2-yl)amino]butan-2-one
CID 115235367
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
2-amino-5-chloro-N-(5-chlorothiophen-2-yl)benzamide
CID 139271185
4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
CID 115127738
1-[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]-3-(5-chlorothiophen-2-yl)urea
CID 90141509
4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
CID 115122846
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide
CID 115184552

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide (CID 115166906) is N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide is O=C(CS)Nc1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide?
The InChIKey is JGMRRBAQFXVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS2/c7-4-1-2-6(11-4)8-5(9)3-10/h1-2,10H,3H2,(H,8,9).
What are the key properties of N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide?
N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide has a molecular weight of 207.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide is sourced from PubChem (CID 115166906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).