4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide

C13H24N4O3S — CID 103167680

IUPAC4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide
SMILESCCOC1CC(Cc2nnc(S(N)(=O)=O)n2C(C)(C)C)C1
InChIInChI=1S/C13H24N4O3S/c1-5-20-10-6-9(7-10)8-11-15-16-12(21(14,18)19)17(11)13(2,3)4/h9-10H,5-8H2,1-4H3,(H2,14,18,19)
InChIKeyYOGGGJDCGFOYSW-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.04
Rot. Bonds5

About 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide

4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide (PubChem CID 103167680) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide
PubChem CID103167680
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide
SMILESCCOC1CC(Cc2nnc(S(N)(=O)=O)n2C(C)(C)C)C1
InChIInChI=1S/C13H24N4O3S/c1-5-20-10-6-9(7-10)8-11-15-16-12(21(14,18)19)17(11)13(2,3)4/h9-10H,5-8H2,1-4H3,(H2,14,18,19)
InChIKeyYOGGGJDCGFOYSW-UHFFFAOYSA-N
XLogP1.04
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide (CID 103167680) is 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide is CCOC1CC(Cc2nnc(S(N)(=O)=O)n2C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide?
The InChIKey is YOGGGJDCGFOYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-5-20-10-6-9(7-10)8-11-15-16-12(21(14,18)19)17(11)13(2,3)4/h9-10H,5-8H2,1-4H3,(H2,14,18,19).
What are the key properties of 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide?
4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).