2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol

C16H29NO3S — CID 79537319

IUPAC2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol
SMILESO=S(=O)(C1CCCCC1)N1CCCCC1C1CCCC1O
InChIInChI=1S/C16H29NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h13-16,18H,1-12H2
InChIKeyWKINZEQPAOYFGY-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.66
Rot. Bonds3

About 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol

2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol (PubChem CID 79537319) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol
PubChem CID79537319
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol
SMILESO=S(=O)(C1CCCCC1)N1CCCCC1C1CCCC1O
InChIInChI=1S/C16H29NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h13-16,18H,1-12H2
InChIKeyWKINZEQPAOYFGY-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol (CID 79537319) is 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol is O=S(=O)(C1CCCCC1)N1CCCCC1C1CCCC1O.
What is the InChIKey of 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The InChIKey is WKINZEQPAOYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c18-16-11-6-9-14(16)15-10-4-5-12-17(15)21(19,20)13-7-2-1-3-8-13/h13-16,18H,1-12H2.
What are the key properties of 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol has a molecular weight of 315.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylpiperidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 79537319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).