N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide

C15H24N4O3S — CID 167974973

IUPACN-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NS(=O)(=O)C2CC3CCC2CC3)nn1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)19-9-12(16-18-19)14(20)17-23(21,22)13-8-10-4-6-11(13)7-5-10/h9-11,13H,4-8H2,1-3H3,(H,17,20)
InChIKeyUORYOLQJDHLTRM-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.67
Rot. Bonds3

About N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide

N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide (PubChem CID 167974973) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide
PubChem CID167974973
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NS(=O)(=O)C2CC3CCC2CC3)nn1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)19-9-12(16-18-19)14(20)17-23(21,22)13-8-10-4-6-11(13)7-5-10/h9-11,13H,4-8H2,1-3H3,(H,17,20)
InChIKeyUORYOLQJDHLTRM-UHFFFAOYSA-N
XLogP1.67
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide 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

N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 136582497
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 146135219
1-tert-butyl-N-(oxan-2-ylmethyl)triazole-4-carboxamide
CID 139007712
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-fluoro-2-methylbenzamide
CID 136582894
1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 126770892
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 136582501
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
CID 103308251
1-tert-butyl-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]triazole-4-carboxamide
CID 126810236
1-tert-butyl-N-(3,4-dipropoxyphenyl)triazole-4-carboxamide
CID 119046998
N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide
CID 136544976
1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
CID 126785743
1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
CID 124855679

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide (CID 167974973) is N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NS(=O)(=O)C2CC3CCC2CC3)nn1.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide?
The InChIKey is UORYOLQJDHLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2,3)19-9-12(16-18-19)14(20)17-23(21,22)13-8-10-4-6-11(13)7-5-10/h9-11,13H,4-8H2,1-3H3,(H,17,20).
What are the key properties of N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide?
N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide is sourced from PubChem (CID 167974973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).