N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide

C9H21N3O2S — CID 61349359

IUPACN-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O2S/c1-2-6-11(9-5-10)15(13,14)12-7-3-4-8-12/h2-10H2,1H3
InChIKeyXPXOWKFHACTSPF-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.00
Rot. Bonds6

About N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide

N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide (PubChem CID 61349359) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide
PubChem CID61349359
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O2S/c1-2-6-11(9-5-10)15(13,14)12-7-3-4-8-12/h2-10H2,1H3
InChIKeyXPXOWKFHACTSPF-UHFFFAOYSA-N
XLogP-0.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide (CID 61349359) is N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide is CCCN(CCN)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is XPXOWKFHACTSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-6-11(9-5-10)15(13,14)12-7-3-4-8-12/h2-10H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide?
N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 61349359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).