(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol

C11H15NO3S — CID 79031477

IUPAC(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccccc1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C11H15NO3S/c1-9-4-2-3-5-11(9)16(14,15)12-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3/t10-/m0/s1
InChIKeyUJDUBILQBUHIEI-JTQLQIEISA-N
MW241.31 g/mol
LogP0.75
Rot. Bonds2

About (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 79031477) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID79031477
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccccc1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C11H15NO3S/c1-9-4-2-3-5-11(9)16(14,15)12-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3/t10-/m0/s1
InChIKeyUJDUBILQBUHIEI-JTQLQIEISA-N
XLogP0.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62941328
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
3-(2-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989146
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
5-(2-methylphenyl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917723

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 79031477) is (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccccc1S(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is UJDUBILQBUHIEI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-4-2-3-5-11(9)16(14,15)12-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 241.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79031477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).