4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine

C15H26N4O2S — CID 47027396

IUPAC4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C15H26N4O2S/c1-3-4-9-18(2)22(20,21)17-13-14-7-8-16-15(12-14)19-10-5-6-11-19/h7-8,12,17H,3-6,9-11,13H2,1-2H3
InChIKeyOJLXDGBWHRZQPX-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.75
Rot. Bonds8

About 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine

4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine (PubChem CID 47027396) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
PubChem CID47027396
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C15H26N4O2S/c1-3-4-9-18(2)22(20,21)17-13-14-7-8-16-15(12-14)19-10-5-6-11-19/h7-8,12,17H,3-6,9-11,13H2,1-2H3
InChIKeyOJLXDGBWHRZQPX-UHFFFAOYSA-N
XLogP1.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine 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

1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147
4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine
CID 87024756
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
4-[4-[(diethylsulfamoylamino)methyl]-2-pyridinyl]morpholine
CID 35402758
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065148
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
CID 47065062
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228

Frequently Asked Questions

What is the IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine (CID 47027396) is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine is CCCCN(C)S(=O)(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine?
The InChIKey is OJLXDGBWHRZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-4-9-18(2)22(20,21)17-13-14-7-8-16-15(12-14)19-10-5-6-11-19/h7-8,12,17H,3-6,9-11,13H2,1-2H3.
What are the key properties of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine?
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine has a molecular weight of 326.47 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 47027396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).