(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide

C10H19N3O3S — CID 102305580

IUPAC(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCS
InChIInChI=1S/C10H19N3O3S/c1-6(9(15)11-4-5-17)13-10(16)7(2)12-8(3)14/h6-7,17H,4-5H2,1-3H3,(H,11,15)(H,12,14)(H,13,16)/t6-,7-/m0/s1
InChIKeyJQYYKKDSPLVWQI-BQBZGAKWSA-N
MW261.35 g/mol
LogP-0.94
Rot. Bonds6

About (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide

(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide (PubChem CID 102305580) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
PubChem CID102305580
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCS
InChIInChI=1S/C10H19N3O3S/c1-6(9(15)11-4-5-17)13-10(16)7(2)12-8(3)14/h6-7,17H,4-5H2,1-3H3,(H,11,15)(H,12,14)(H,13,16)/t6-,7-/m0/s1
InChIKeyJQYYKKDSPLVWQI-BQBZGAKWSA-N
XLogP-0.94
TPSA87.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]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-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide (CID 102305580) is (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide is CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCS.
What is the InChIKey of (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide?
The InChIKey is JQYYKKDSPLVWQI-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-6(9(15)11-4-5-17)13-10(16)7(2)12-8(3)14/h6-7,17H,4-5H2,1-3H3,(H,11,15)(H,12,14)(H,13,16)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide?
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide has a molecular weight of 261.35 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 102305580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).