1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

C13H19NO3S — CID 112627615

IUPAC1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H19NO3S/c1-10-5-3-4-6-13(10)18(16,17)14-8-7-12(9-14)11(2)15/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyUEYVWFDXWODEDZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds3

About 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 112627615) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID112627615
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H19NO3S/c1-10-5-3-4-6-13(10)18(16,17)14-8-7-12(9-14)11(2)15/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyUEYVWFDXWODEDZ-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
1-[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 112626122
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835669
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
3-(2-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989146
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 115965130

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 112627615) is 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is Cc1ccccc1S(=O)(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is UEYVWFDXWODEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-5-3-4-6-13(10)18(16,17)14-8-7-12(9-14)11(2)15/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).