1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine

C13H20N2O2S — CID 103976185

IUPAC1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCc1cccc(S(=O)(=O)N2CCC(C(C)N)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(9-15)11(2)14/h3-5,8,11-12H,6-7,9,14H2,1-2H3
InChIKeyFVWYDRGEYBWCSQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.35
Rot. Bonds3

About 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine

1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine (PubChem CID 103976185) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
PubChem CID103976185
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCc1cccc(S(=O)(=O)N2CCC(C(C)N)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(9-15)11(2)14/h3-5,8,11-12H,6-7,9,14H2,1-2H3
InChIKeyFVWYDRGEYBWCSQ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
3-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119974672
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-[1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976043
4-bromo-3-methyl-1-(3-methylphenyl)sulfonylpiperidine
CID 114683757

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine (CID 103976185) is 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine is Cc1cccc(S(=O)(=O)N2CCC(C(C)N)C2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine?
The InChIKey is FVWYDRGEYBWCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(9-15)11(2)14/h3-5,8,11-12H,6-7,9,14H2,1-2H3.
What are the key properties of 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine?
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).