2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol

C11H21NO3S — CID 79549345

IUPAC2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-8-4-6-10(12)9-5-2-3-7-11(9)13/h9-11,13H,2-8H2,1H3
InChIKeyOUGRRZBGRKBWFI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds2

About 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol

2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol (PubChem CID 79549345) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
PubChem CID79549345
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-8-4-6-10(12)9-5-2-3-7-11(9)13/h9-11,13H,2-8H2,1H3
InChIKeyOUGRRZBGRKBWFI-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol (CID 79549345) is 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol is CS(=O)(=O)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The InChIKey is OUGRRZBGRKBWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)12-8-4-6-10(12)9-5-2-3-7-11(9)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 79549345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).