1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine

C15H24N2O2S — CID 83220488

IUPAC1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2O2S/c1-4-14-9-8-11(2)17(14)20(18,19)15-7-5-6-13(10-15)12(3)16/h5-7,10-12,14H,4,8-9,16H2,1-3H3
InChIKeyZXNBTYWRZGGPTI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine

1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 83220488) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID83220488
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2O2S/c1-4-14-9-8-11(2)17(14)20(18,19)15-7-5-6-13(10-15)12(3)16/h5-7,10-12,14H,4,8-9,16H2,1-3H3
InChIKeyZXNBTYWRZGGPTI-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-[3-(chloromethyl)-4-ethylphenyl]sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218804
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218669
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492008

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (CID 83220488) is 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine is CCC1CCC(C)N1S(=O)(=O)c1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is ZXNBTYWRZGGPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-14-9-8-11(2)17(14)20(18,19)15-7-5-6-13(10-15)12(3)16/h5-7,10-12,14H,4,8-9,16H2,1-3H3.
What are the key properties of 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 83220488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).