(1-methylsulfonylpyrrolidin-3-yl)methanol

C6H13NO3S — CID 62370439

IUPAC(1-methylsulfonylpyrrolidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKeyKJCHQQDMRBJYPY-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.74
Rot. Bonds2

About (1-methylsulfonylpyrrolidin-3-yl)methanol

(1-methylsulfonylpyrrolidin-3-yl)methanol (PubChem CID 62370439) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (1-methylsulfonylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfonylpyrrolidin-3-yl)methanol
PubChem CID62370439
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(1-methylsulfonylpyrrolidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKeyKJCHQQDMRBJYPY-UHFFFAOYSA-N
XLogP-0.74
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 ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanol (CID 62370439) is (1-methylsulfonylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-methylsulfonylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-methylsulfonylpyrrolidin-3-yl)methanol is CS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of (1-methylsulfonylpyrrolidin-3-yl)methanol?
The InChIKey is KJCHQQDMRBJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3.
What are the key properties of (1-methylsulfonylpyrrolidin-3-yl)methanol?
(1-methylsulfonylpyrrolidin-3-yl)methanol has a molecular weight of 179.24 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 62370439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).