2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol

C16H29NO3S — CID 79539671

IUPAC2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H29NO3S/c18-16-10-4-8-14(16)15-9-5-11-17(15)21(19,20)12-13-6-2-1-3-7-13/h13-16,18H,1-12H2
InChIKeyITLITDVTPCLFGW-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.52
Rot. Bonds4

About 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79539671) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79539671
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H29NO3S/c18-16-10-4-8-14(16)15-9-5-11-17(15)21(19,20)12-13-6-2-1-3-7-13/h13-16,18H,1-12H2
InChIKeyITLITDVTPCLFGW-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol
CID 164639087
(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol
CID 128776585
2-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 79544615
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 83047782
3-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
8-(Cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763529
4-(2-Cyclopentylpyrrolidin-1-yl)sulfonylbutan-1-ol
CID 65736706
2-[1-(Oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 79536144
2-[1-(2-Methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 79536156
2-(1-Cyclohexylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79536394
2-[1-(Oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 79536399
2-(1-Cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79537319

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 79539671) is 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol is O=S(=O)(CC1CCCCC1)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is ITLITDVTPCLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c18-16-10-4-8-14(16)15-9-5-11-17(15)21(19,20)12-13-6-2-1-3-7-13/h13-16,18H,1-12H2.
What are the key properties of 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 315.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79539671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).