N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide

C9H12N2OS2 — CID 79802281

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-5-3-14-4-7(5)9(12)11-6(2)8(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyXOUIAIXSWSSGCP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide (PubChem CID 79802281) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
PubChem CID79802281
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-5-3-14-4-7(5)9(12)11-6(2)8(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyXOUIAIXSWSSGCP-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 107860042
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307805
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
CID 107722051
N-methoxy-4-methylthiophene-3-carboxamide
CID 79777235
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylthiophene-3-carboxamide
CID 79802021
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
CID 79808144
N-(2-amino-1-cyclopropylethyl)-4-methylthiophene-3-carboxamide;hydrochloride
CID 119613848
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-tert-butyl-4-methylthiophene-3-carboxamide
CID 79770886
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide (CID 79802281) is N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is XOUIAIXSWSSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-5-3-14-4-7(5)9(12)11-6(2)8(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).