[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

C12H17NO3S — CID 62370440

IUPAC[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cccc(S(=O)(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C12H17NO3S/c1-10-3-2-4-12(7-10)17(15,16)13-6-5-11(8-13)9-14/h2-4,7,11,14H,5-6,8-9H2,1H3
InChIKeyGWASSFOOPAIBOI-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds3

About [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62370440) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID62370440
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cccc(S(=O)(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C12H17NO3S/c1-10-3-2-4-12(7-10)17(15,16)13-6-5-11(8-13)9-14/h2-4,7,11,14H,5-6,8-9H2,1H3
InChIKeyGWASSFOOPAIBOI-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoethyl)-1-(3-methylphenyl)sulfonylpyrrolidine
CID 114801831
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
2-[1-(3-methylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618229
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
(3S,4S)-4-hydroxy-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135105405
4-bromo-3-methyl-1-(3-methylphenyl)sulfonylpiperidine
CID 114683757
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (CID 62370440) is [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is Cc1cccc(S(=O)(=O)N2CCC(CO)C2)c1.
What is the InChIKey of [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is GWASSFOOPAIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-3-2-4-12(7-10)17(15,16)13-6-5-11(8-13)9-14/h2-4,7,11,14H,5-6,8-9H2,1H3.
What are the key properties of [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 255.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).