N-(2-sulfanylethyl)butanamide

C6H13NOS — CID 22222166

IUPACN-(2-sulfanylethyl)butanamide
SMILESCCCC(=O)NCCS
InChIInChI=1S/C6H13NOS/c1-2-3-6(8)7-4-5-9/h9H,2-5H2,1H3,(H,7,8)
InChIKeyGEMHCIXUOAEJLO-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.83
Rot. Bonds4

About N-(2-sulfanylethyl)butanamide

N-(2-sulfanylethyl)butanamide (PubChem CID 22222166) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-sulfanylethyl)butanamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)butanamide
PubChem CID22222166
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(2-sulfanylethyl)butanamide
SMILESCCCC(=O)NCCS
InChIInChI=1S/C6H13NOS/c1-2-3-6(8)7-4-5-9/h9H,2-5H2,1H3,(H,7,8)
InChIKeyGEMHCIXUOAEJLO-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-sulfanylethyl)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

Acetylcysteamine
CID 14484
3-Mercapto-N-methylpropanamide
CID 642906
3-Amino-N-(2-mercaptoethyl)propanamide
CID 120722
Propanamide, N-(2-mercaptoethyl)-
CID 105408
N-(2-methylsulfanylethyl)butanamide
CID 2245988
Butanamide, N-propyl-
CID 231083
N-Ethylbutanamide
CID 518695
Ethanethiol, 2-(acetoacetylamino)-
CID 115912
N-(2-Sulfanylpropyl)ethanimidic acid
CID 3078302
N-methyl-4-sulfanylbutanamide
CID 104159
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
N-propyl mercaptoacetamide
CID 11116110

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)butanamide?
The IUPAC name of N-(2-sulfanylethyl)butanamide (CID 22222166) is N-(2-sulfanylethyl)butanamide.
What is the SMILES notation for N-(2-sulfanylethyl)butanamide?
The canonical SMILES for N-(2-sulfanylethyl)butanamide is CCCC(=O)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)butanamide?
The InChIKey is GEMHCIXUOAEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-6(8)7-4-5-9/h9H,2-5H2,1H3,(H,7,8).
What are the key properties of N-(2-sulfanylethyl)butanamide?
N-(2-sulfanylethyl)butanamide has a molecular weight of 147.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)butanamide is sourced from PubChem (CID 22222166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).