3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine

C15H22N6O2S — CID 55698193

IUPAC3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C15H22N6O2S/c1-20(14-7-3-2-4-8-14)24(22,23)19-10-13-6-5-9-17-15(13)21-12-16-11-18-21/h5-6,9,11-12,14,19H,2-4,7-8,10H2,1H3
InChIKeyHLJIADODQRWATL-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.26
Rot. Bonds6

About 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine

3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine (PubChem CID 55698193) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine
PubChem CID55698193
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C15H22N6O2S/c1-20(14-7-3-2-4-8-14)24(22,23)19-10-13-6-5-9-17-15(13)21-12-16-11-18-21/h5-6,9,11-12,14,19H,2-4,7-8,10H2,1H3
InChIKeyHLJIADODQRWATL-UHFFFAOYSA-N
XLogP1.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
2-[(2R)-oxolan-2-yl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 94026509
1-(2-cyclopentylsulfanylphenyl)-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55701789
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
CID 75267831
(3S)-1,1-dioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiolane-3-carboxamide
CID 94026506
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
2-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-imidazole
CID 64529326
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26333850
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990
1-[(3-chlorophenyl)methyl]-1-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55799784
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine (CID 55698193) is 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine is CN(C1CCCCC1)S(=O)(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is HLJIADODQRWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-20(14-7-3-2-4-8-14)24(22,23)19-10-13-6-5-9-17-15(13)21-12-16-11-18-21/h5-6,9,11-12,14,19H,2-4,7-8,10H2,1H3.
What are the key properties of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine?
3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine has a molecular weight of 350.45 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 55698193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).