2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide

C12H21NO2S — CID 97235375

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
SMILESCS[C@H](CO)[C@@H](C)NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C12H21NO2S/c1-9(11(8-14)16-2)13-12(15)7-10-5-3-4-6-10/h3,5,9-11,14H,4,6-8H2,1-2H3,(H,13,15)/t9-,10+,11-/m1/s1
InChIKeyLQXWNDPKPZYSKT-OUAUKWLOSA-N
MW243.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide (PubChem CID 97235375) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
PubChem CID97235375
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
SMILESCS[C@H](CO)[C@@H](C)NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C12H21NO2S/c1-9(11(8-14)16-2)13-12(15)7-10-5-3-4-6-10/h3,5,9-11,14H,4,6-8H2,1-2H3,(H,13,15)/t9-,10+,11-/m1/s1
InChIKeyLQXWNDPKPZYSKT-OUAUKWLOSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(thian-4-yl)acetamide
CID 103801422
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 47161802
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
methyl (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630238
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide (CID 97235375) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide is CS[C@H](CO)[C@@H](C)NC(=O)C[C@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The InChIKey is LQXWNDPKPZYSKT-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-9(11(8-14)16-2)13-12(15)7-10-5-3-4-6-10/h3,5,9-11,14H,4,6-8H2,1-2H3,(H,13,15)/t9-,10+,11-/m1/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide has a molecular weight of 243.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 97235375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).