[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol

C6H13NO3S — CID 39086670

IUPAC[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyXYBYLDAUSPCICO-ZCFIWIBFSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds2

About [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol

[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 39086670) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol
PubChem CID39086670
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyXYBYLDAUSPCICO-ZCFIWIBFSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol 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

CID 71911371
CID 71911371
CID 176257926
CID 176257926
CID 131037280
CID 131037280
CID 134959087
CID 134959087
CID 61408979
CID 61408979
CID 61409066
CID 61409066
CID 66261725
CID 66261725
CID 66261990
CID 66261990
CID 75387077
CID 75387077
CID 79028201
CID 79028201
CID 79028416
CID 79028416
CID 102786537
CID 102786537

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol (CID 39086670) is [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol is CS(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is XYBYLDAUSPCICO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 39086670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).