2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

C13H19NO3S — CID 102077480

IUPAC2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-2-4-13(5-3-11)18(16,17)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3
InChIKeyRZKXQQPKFONEQC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 102077480) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID102077480
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-2-4-13(5-3-11)18(16,17)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3
InChIKeyRZKXQQPKFONEQC-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114798223
(3R)-3-[3-(1,3-dioxan-2-yl)propyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134948074
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 102077480) is 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is RZKXQQPKFONEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-2-4-13(5-3-11)18(16,17)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 102077480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).