4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 102784166

IUPAC4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(C)C2CN)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)13-6-4-12(5-7-13)17-9-8-11(2)14(17)10-15/h4-7,11,14,16H,3,8-10,15H2,1-2H3
InChIKeyBLKURDSJUAWBCV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds5

About 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide

4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide (PubChem CID 102784166) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide
PubChem CID102784166
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(C)C2CN)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)13-6-4-12(5-7-13)17-9-8-11(2)14(17)10-15/h4-7,11,14,16H,3,8-10,15H2,1-2H3
InChIKeyBLKURDSJUAWBCV-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
CID 81452208
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 102784168
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(1,4-diazepan-1-yl)-N-ethylbenzenesulfonamide
CID 43453924
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961731
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide (CID 102784166) is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N2CCC(C)C2CN)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide?
The InChIKey is BLKURDSJUAWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)13-6-4-12(5-7-13)17-9-8-11(2)14(17)10-15/h4-7,11,14,16H,3,8-10,15H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide?
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 102784166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).