(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide

C5H12N2OS2 — CID 71576778

IUPAC(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NS
InChIInChI=1S/C5H12N2OS2/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyVOKZHJLAOUWHMC-BYPYZUCNSA-N
MW180.30 g/mol
LogP0.03
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide

(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide (PubChem CID 71576778) has the molecular formula C5H12N2OS2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide
PubChem CID71576778
Molecular FormulaC5H12N2OS2
Molecular Weight180.30 g/mol
Exact Mass180.04
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NS
InChIInChI=1S/C5H12N2OS2/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyVOKZHJLAOUWHMC-BYPYZUCNSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide (CID 71576778) is (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide is CSCC[C@H](N)C(=O)NS.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide?
The InChIKey is VOKZHJLAOUWHMC-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2OS2/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide?
(2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide has a molecular weight of 180.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-sulfanylbutanamide is sourced from PubChem (CID 71576778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).