2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide

C7H14N2O2S — CID 123738859

IUPAC2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
SMILESCCC(N)C(=O)N[C@@H](C=O)CS
InChIInChI=1S/C7H14N2O2S/c1-2-6(8)7(11)9-5(3-10)4-12/h3,5-6,12H,2,4,8H2,1H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyXHYSKFAFXQOYNW-ZBHICJROSA-N
MW190.27 g/mol
LogP-0.66
Rot. Bonds5

About 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide

2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide (PubChem CID 123738859) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
PubChem CID123738859
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
SMILESCCC(N)C(=O)N[C@@H](C=O)CS
InChIInChI=1S/C7H14N2O2S/c1-2-6(8)7(11)9-5(3-10)4-12/h3,5-6,12H,2,4,8H2,1H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyXHYSKFAFXQOYNW-ZBHICJROSA-N
XLogP-0.66
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]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

2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
CID 56620684
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide?
The IUPAC name of 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide (CID 123738859) is 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide?
The canonical SMILES for 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide is CCC(N)C(=O)N[C@@H](C=O)CS.
What is the InChIKey of 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide?
The InChIKey is XHYSKFAFXQOYNW-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-6(8)7(11)9-5(3-10)4-12/h3,5-6,12H,2,4,8H2,1H3,(H,9,11)/t5-,6?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide?
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide has a molecular weight of 190.27 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide is sourced from PubChem (CID 123738859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).