N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide

C15H19NO2S — CID 111661460

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C15H19NO2S/c1-11-2-6-14(7-3-11)19-10-15(18)16-13-5-4-12(8-13)9-17/h2-7,12-13,17H,8-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyLTWJQCCMVBMUCZ-QWHCGFSZSA-N
MW277.39 g/mol
LogP2.14
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 111661460) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID111661460
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C15H19NO2S/c1-11-2-6-14(7-3-11)19-10-15(18)16-13-5-4-12(8-13)9-17/h2-7,12-13,17H,8-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyLTWJQCCMVBMUCZ-QWHCGFSZSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide 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

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571
2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 75435050
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 63042737
1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631440
2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 974703
3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
CID 111661196
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 111661460) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is LTWJQCCMVBMUCZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-2-6-14(7-3-11)19-10-15(18)16-13-5-4-12(8-13)9-17/h2-7,12-13,17H,8-10H2,1H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 111661460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).