1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol

C13H19NO3S — CID 54882754

IUPAC1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C13H19NO3S/c1-10-5-4-8-14(10)18(16,17)13-7-3-6-12(9-13)11(2)15/h3,6-7,9-11,15H,4-5,8H2,1-2H3
InChIKeyYZGPFAKJVRHWHB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.91
Rot. Bonds3

About 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol (PubChem CID 54882754) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
PubChem CID54882754
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C13H19NO3S/c1-10-5-4-8-14(10)18(16,17)13-7-3-6-12(9-13)11(2)15/h3,6-7,9-11,15H,4-5,8H2,1-2H3
InChIKeyYZGPFAKJVRHWHB-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
3-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]prop-2-enoic acid
CID 76907317
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol?
The IUPAC name of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol (CID 54882754) is 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol is CC(O)c1cccc(S(=O)(=O)N2CCCC2C)c1.
What is the InChIKey of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol?
The InChIKey is YZGPFAKJVRHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-5-4-8-14(10)18(16,17)13-7-3-6-12(9-13)11(2)15/h3,6-7,9-11,15H,4-5,8H2,1-2H3.
What are the key properties of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol?
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 54882754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).