2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol

C16H23NO3S — CID 79539682

IUPAC2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1cccc(S(=O)(=O)N2CCCC2C2CCCC2O)c1
InChIInChI=1S/C16H23NO3S/c1-12-5-2-6-13(11-12)21(19,20)17-10-4-8-15(17)14-7-3-9-16(14)18/h2,5-6,11,14-16,18H,3-4,7-10H2,1H3
InChIKeyJLWDVZBPZCHBRQ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.31
Rot. Bonds3

About 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79539682) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79539682
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1cccc(S(=O)(=O)N2CCCC2C2CCCC2O)c1
InChIInChI=1S/C16H23NO3S/c1-12-5-2-6-13(11-12)21(19,20)17-10-4-8-15(17)14-7-3-9-16(14)18/h2,5-6,11,14-16,18H,3-4,7-10H2,1H3
InChIKeyJLWDVZBPZCHBRQ-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110395032
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79539460
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol (CID 79539682) is 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol is Cc1cccc(S(=O)(=O)N2CCCC2C2CCCC2O)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is JLWDVZBPZCHBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-5-2-6-13(11-12)21(19,20)17-10-4-8-15(17)14-7-3-9-16(14)18/h2,5-6,11,14-16,18H,3-4,7-10H2,1H3.
What are the key properties of 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 309.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).