2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

C19H23N3O3S — CID 119483296

IUPAC2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C19H23N3O3S/c1-21(16-7-3-2-4-8-16)26(24,25)18-10-6-5-9-17(18)19(23)22-12-11-15(13-20)14-22/h2-10,15H,11-14,20H2,1H3
InChIKeyOSEKKFBXRJKTRA-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.93
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 119483296) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID119483296
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C19H23N3O3S/c1-21(16-7-3-2-4-8-16)26(24,25)18-10-6-5-9-17(18)19(23)22-12-11-15(13-20)14-22/h2-10,15H,11-14,20H2,1H3
InChIKeyOSEKKFBXRJKTRA-UHFFFAOYSA-N
XLogP1.93
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78857211
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 112765512
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
[3-(aminomethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 55030749
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119484827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (CID 119483296) is 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is OSEKKFBXRJKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21(16-7-3-2-4-8-16)26(24,25)18-10-6-5-9-17(18)19(23)22-12-11-15(13-20)14-22/h2-10,15H,11-14,20H2,1H3.
What are the key properties of 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 119483296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).