1-(3-methylphenyl)sulfonylpyrrolidin-3-amine

C11H16N2O2S — CID 62069516

IUPAC1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(N)C2)c1
InChIInChI=1S/C11H16N2O2S/c1-9-3-2-4-11(7-9)16(14,15)13-6-5-10(12)8-13/h2-4,7,10H,5-6,8,12H2,1H3
InChIKeyQCTYSVFTZVCBDG-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine

1-(3-methylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 62069516) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID62069516
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(N)C2)c1
InChIInChI=1S/C11H16N2O2S/c1-9-3-2-4-11(7-9)16(14,15)13-6-5-10(12)8-13/h2-4,7,10H,5-6,8,12H2,1H3
InChIKeyQCTYSVFTZVCBDG-UHFFFAOYSA-N
XLogP0.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
3-(2-bromoethyl)-1-(3-methylphenyl)sulfonylpyrrolidine
CID 114801831
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119993572

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine (CID 62069516) is 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine is Cc1cccc(S(=O)(=O)N2CCC(N)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is QCTYSVFTZVCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-3-2-4-11(7-9)16(14,15)13-6-5-10(12)8-13/h2-4,7,10H,5-6,8,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine?
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 62069516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).