N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide

C13H22N4O2S — CID 86787260

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C13H22N4O2S/c1-3-8-20(18,19)16(2)9-12-14-15-13(10-4-5-10)17(12)11-6-7-11/h10-11H,3-9H2,1-2H3
InChIKeyWSFNGLWAVLVEGA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.66
Rot. Bonds7

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 86787260) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID86787260
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C13H22N4O2S/c1-3-8-20(18,19)16(2)9-12-14-15-13(10-4-5-10)17(12)11-6-7-11/h10-11H,3-9H2,1-2H3
InChIKeyWSFNGLWAVLVEGA-UHFFFAOYSA-N
XLogP1.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide (CID 86787260) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is WSFNGLWAVLVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-8-20(18,19)16(2)9-12-14-15-13(10-4-5-10)17(12)11-6-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 86787260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).