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

C13H20N2O2S — CID 54882423

IUPAC1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCC(N)c1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-8-15(10)18(16,17)13-7-3-6-12(9-13)11(2)14/h3,6-7,9-11H,4-5,8,14H2,1-2H3
InChIKeyXOZMFQZMQSRFHT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.88
Rot. Bonds3

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

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 54882423) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID54882423
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCC(N)c1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-8-15(10)18(16,17)13-7-3-6-12(9-13)11(2)14/h3,6-7,9-11H,4-5,8,14H2,1-2H3
InChIKeyXOZMFQZMQSRFHT-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 83220488
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (CID 54882423) is 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine is CC(N)c1cccc(S(=O)(=O)N2CCCC2C)c1.
What is the InChIKey of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is XOZMFQZMQSRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-4-8-15(10)18(16,17)13-7-3-6-12(9-13)11(2)14/h3,6-7,9-11H,4-5,8,14H2,1-2H3.
What are the key properties of 1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 1.88, 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]ethanamine is sourced from PubChem (CID 54882423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).