N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide

C17H30N4O2S — CID 126806555

IUPACN-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(CN(C)Cc2cccnc2)C1
InChIInChI=1S/C17H30N4O2S/c1-4-5-10-20(3)24(22,23)21-11-8-17(15-21)14-19(2)13-16-7-6-9-18-12-16/h6-7,9,12,17H,4-5,8,10-11,13-15H2,1-3H3
InChIKeyLFSQXZUPMKQTCT-UHFFFAOYSA-N
MW354.52 g/mol
LogP1.81
Rot. Bonds9

About N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide

N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide (PubChem CID 126806555) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
PubChem CID126806555
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC NameN-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(CN(C)Cc2cccnc2)C1
InChIInChI=1S/C17H30N4O2S/c1-4-5-10-20(3)24(22,23)21-11-8-17(15-21)14-19(2)13-16-7-6-9-18-12-16/h6-7,9,12,17H,4-5,8,10-11,13-15H2,1-3H3
InChIKeyLFSQXZUPMKQTCT-UHFFFAOYSA-N
XLogP1.81
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]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

(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
CID 99837715
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 128997041
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide (CID 126806555) is N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCC(CN(C)Cc2cccnc2)C1.
What is the InChIKey of N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is LFSQXZUPMKQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-4-5-10-20(3)24(22,23)21-11-8-17(15-21)14-19(2)13-16-7-6-9-18-12-16/h6-7,9,12,17H,4-5,8,10-11,13-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide?
N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 1.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126806555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).