2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide

C11H16N2OS2 — CID 63243966

IUPAC2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCc1ccsc1)C(N)=S
InChIInChI=1S/C11H16N2OS2/c1-7(2)9(10(12)15)11(14)13-5-8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyDXOSCPJEJBTYHD-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.92
Rot. Bonds5

About 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide

2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 63243966) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
PubChem CID63243966
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCc1ccsc1)C(N)=S
InChIInChI=1S/C11H16N2OS2/c1-7(2)9(10(12)15)11(14)13-5-8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyDXOSCPJEJBTYHD-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide 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

3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 76988786
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-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
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
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide (CID 63243966) is 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide is CC(C)C(C(=O)NCc1ccsc1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is DXOSCPJEJBTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-7(2)9(10(12)15)11(14)13-5-8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 256.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 63243966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).