3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole

C14H27N5O2S — CID 86803145

IUPAC3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(CNS(=O)(=O)N(C)C2CCCCC2)n1C
InChIInChI=1S/C14H27N5O2S/c1-11(2)14-17-16-13(18(14)3)10-15-22(20,21)19(4)12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyFMQTZZBAGOQANH-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.54
Rot. Bonds6

About 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole

3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 86803145) has the molecular formula C14H27N5O2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID86803145
Molecular FormulaC14H27N5O2S
Molecular Weight329.47 g/mol
Exact Mass329.19
IUPAC Name3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(CNS(=O)(=O)N(C)C2CCCCC2)n1C
InChIInChI=1S/C14H27N5O2S/c1-11(2)14-17-16-13(18(14)3)10-15-22(20,21)19(4)12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyFMQTZZBAGOQANH-UHFFFAOYSA-N
XLogP1.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole (CID 86803145) is 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(CNS(=O)(=O)N(C)C2CCCCC2)n1C.
What is the InChIKey of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is FMQTZZBAGOQANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2S/c1-11(2)14-17-16-13(18(14)3)10-15-22(20,21)19(4)12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole?
3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 329.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 86803145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).