N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide

C13H21N3O4S2 — CID 119989094

IUPACN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide
SMILESNCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O4S2/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,14H2
InChIKeyPRNJUMWLVOUGHS-UHFFFAOYSA-N
MW347.46 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide (PubChem CID 119989094) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide
PubChem CID119989094
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide
SMILESNCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O4S2/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,14H2
InChIKeyPRNJUMWLVOUGHS-UHFFFAOYSA-N
XLogP-0.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride
CID 119989093
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
CID 119989090
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
ethyl N-[(3S)-1-[2-(benzenesulfonamido)ethylsulfonyl]piperidin-3-yl]carbamate
CID 96540850
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
CID 119632832
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide (CID 119989094) is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide is NCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide?
The InChIKey is PRNJUMWLVOUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,14H2.
What are the key properties of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide?
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide has a molecular weight of 347.46 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 119989094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).