4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide

C11H20N4O2S — CID 103167679

IUPAC4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)(C)n1c(CC2CCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)15-9(7-8-5-4-6-8)13-14-10(15)18(12,16)17/h8H,4-7H2,1-3H3,(H2,12,16,17)
InChIKeyXKSSDFJVILDSBK-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds3

About 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide

4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103167679) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID103167679
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)(C)n1c(CC2CCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)15-9(7-8-5-4-6-8)13-14-10(15)18(12,16)17/h8H,4-7H2,1-3H3,(H2,12,16,17)
InChIKeyXKSSDFJVILDSBK-UHFFFAOYSA-N
XLogP1.02
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide (CID 103167679) is 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide is CC(C)(C)n1c(CC2CCC2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is XKSSDFJVILDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-11(2,3)15-9(7-8-5-4-6-8)13-14-10(15)18(12,16)17/h8H,4-7H2,1-3H3,(H2,12,16,17).
What are the key properties of 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide?
4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).