[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate

C15H19NO4S — CID 69421052

IUPAC[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](N(C)S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H19NO4S/c1-11-5-4-6-15(9-11)21(18,19)16(3)13-7-8-14(10-13)20-12(2)17/h4-9,13-14H,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyKJLOYLFSKMBGQU-KGLIPLIRSA-N
MW309.39 g/mol
LogP1.88
Rot. Bonds4

About [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate (PubChem CID 69421052) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate
PubChem CID69421052
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](N(C)S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H19NO4S/c1-11-5-4-6-15(9-11)21(18,19)16(3)13-7-8-14(10-13)20-12(2)17/h4-9,13-14H,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyKJLOYLFSKMBGQU-KGLIPLIRSA-N
XLogP1.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 70035700
N,3-dimethyl-N-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 69421229
N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride
CID 69420296
N-[(1S,4R)-4-[(3S)-3-cyclohexylpiperidin-1-yl]cyclopent-2-en-1-yl]-N,3-dimethylbenzenesulfonamide
CID 69421248
2-[methyl-(3-methylphenyl)sulfonylamino]propanoic acid
CID 62627691
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
CID 69421630
(3-methylphenyl)sulfonylazanide
CID 158627668
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate (CID 69421052) is [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](N(C)S(=O)(=O)c2cccc(C)c2)C1.
What is the InChIKey of [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate?
The InChIKey is KJLOYLFSKMBGQU-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-5-4-6-15(9-11)21(18,19)16(3)13-7-8-14(10-13)20-12(2)17/h4-9,13-14H,10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate has a molecular weight of 309.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 69421052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).