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

C19H23N3O3S — CID 119632832

IUPAC3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
SMILESNCC1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23N3O3S/c20-13-17-9-5-11-22(17)19(23)16-8-4-10-18(12-16)26(24,25)21-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,21H,5,9,11,13-14,20H2
InChIKeyRRVONWXUXWCDJH-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.73
Rot. Bonds6

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

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide (PubChem CID 119632832) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
PubChem CID119632832
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
SMILESNCC1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23N3O3S/c20-13-17-9-5-11-22(17)19(23)16-8-4-10-18(12-16)26(24,25)21-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,21H,5,9,11,13-14,20H2
InChIKeyRRVONWXUXWCDJH-UHFFFAOYSA-N
XLogP1.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
(2S)-1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365208
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109064909
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55924570
1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353982
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide?
The IUPAC name of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide (CID 119632832) is 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide?
The canonical SMILES for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide is NCC1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide?
The InChIKey is RRVONWXUXWCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c20-13-17-9-5-11-22(17)19(23)16-8-4-10-18(12-16)26(24,25)21-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,21H,5,9,11,13-14,20H2.
What are the key properties of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide?
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide is sourced from PubChem (CID 119632832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).