N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide

C14H21N3O3S — CID 119632504

IUPACN-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCCC2CN)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(17)9-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyIDPPGZMZGNFGRP-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.93
Rot. Bonds4

About N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide

N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide (PubChem CID 119632504) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
PubChem CID119632504
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCCC2CN)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(17)9-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyIDPPGZMZGNFGRP-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide;hydrochloride
CID 119633999
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide
CID 119631538
N-[5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 51933466
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide (CID 119632504) is N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCCC2CN)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is IDPPGZMZGNFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(17)9-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 119632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).