1-methylsulfonylpyrrolidin-3-ol

C5H11NO3S — CID 20745843

IUPAC1-methylsulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C5H11NO3S/c1-10(8,9)6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyNOMWMFNPNMHIGI-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.99
Rot. Bonds1

About 1-methylsulfonylpyrrolidin-3-ol

1-methylsulfonylpyrrolidin-3-ol (PubChem CID 20745843) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidin-3-ol
PubChem CID20745843
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name1-methylsulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C5H11NO3S/c1-10(8,9)6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyNOMWMFNPNMHIGI-UHFFFAOYSA-N
XLogP-0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
4-bromo-1-methylsulfonylpiperidin-3-ol
CID 13042967
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidin-3-ol?
The IUPAC name of 1-methylsulfonylpyrrolidin-3-ol (CID 20745843) is 1-methylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-methylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-methylsulfonylpyrrolidin-3-ol is CS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-methylsulfonylpyrrolidin-3-ol?
The InChIKey is NOMWMFNPNMHIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10(8,9)6-3-2-5(7)4-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-methylsulfonylpyrrolidin-3-ol?
1-methylsulfonylpyrrolidin-3-ol has a molecular weight of 165.21 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 20745843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).