1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol

C12H23NO3S — CID 112627564

IUPAC1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H23NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyDJFUGSUNSIHNSP-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds3

About 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol

1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol (PubChem CID 112627564) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
PubChem CID112627564
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H23NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyDJFUGSUNSIHNSP-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol
CID 112626102
3-(1-cyclopentylsulfonylpiperidin-3-yl)butanoic acid
CID 105360920
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
CID 105360397
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
4-bromo-1-cyclohexylsulfonyl-3-methylpiperidine
CID 114683695
(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine
CID 97417153

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol (CID 112627564) is 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol is CC(O)C1CCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol?
The InChIKey is DJFUGSUNSIHNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol?
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 112627564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).