3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide

C9H12N2OS2 — CID 63243923

IUPAC3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccsc1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-6(8(10)13)9(12)11-4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJCGBALVBLIUCHB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.29
Rot. Bonds4

About 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide

3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 63243923) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
PubChem CID63243923
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccsc1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-6(8(10)13)9(12)11-4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJCGBALVBLIUCHB-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide 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

2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 63243966
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 76988786
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
CID 106417909
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide (CID 63243923) is 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide is CC(C(=O)NCc1ccsc1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is JCGBALVBLIUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-6(8(10)13)9(12)11-4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide?
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 63243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).