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

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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).