(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol

C6H13NO3S — CID 140507740

IUPAC(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-7-3-5(8)6(4-7)11(2,9)10/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyJWOHZADVKDGAHW-PHDIDXHHSA-N
MW179.24 g/mol
LogP-1.29
Rot. Bonds1

About (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol

(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol (PubChem CID 140507740) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol
PubChem CID140507740
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-7-3-5(8)6(4-7)11(2,9)10/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyJWOHZADVKDGAHW-PHDIDXHHSA-N
XLogP-1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol (CID 140507740) is (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol is CN1C[C@@H](O)[C@H](S(C)(=O)=O)C1.
What is the InChIKey of (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol?
The InChIKey is JWOHZADVKDGAHW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-7-3-5(8)6(4-7)11(2,9)10/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol?
(3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol has a molecular weight of 179.24 g/mol, XLogP of -1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methyl-4-methylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 140507740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).