3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide

C14H32N4O2S — CID 81463759

IUPAC3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H32N4O2S/c1-6-8-15-9-7-10-17(5)21(19,20)18-11-13(2)14(12-18)16(3)4/h13-15H,6-12H2,1-5H3
InChIKeyJQKCFWOYNHPNRK-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.43
Rot. Bonds9

About 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide

3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide (PubChem CID 81463759) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
PubChem CID81463759
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H32N4O2S/c1-6-8-15-9-7-10-17(5)21(19,20)18-11-13(2)14(12-18)16(3)4/h13-15H,6-12H2,1-5H3
InChIKeyJQKCFWOYNHPNRK-UHFFFAOYSA-N
XLogP0.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-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

Related Compounds

3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 106317296
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 81469273
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
N-methyl-N-(2-methylsulfanylethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988307
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 81469093
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide (CID 81463759) is 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide is CCCNCCCN(C)S(=O)(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is JQKCFWOYNHPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-6-8-15-9-7-10-17(5)21(19,20)18-11-13(2)14(12-18)16(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 81463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).