1-(3-methylbutyl)triazole-4-sulfonamide

C7H14N4O2S — CID 167782575

IUPAC1-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCn1cc(S(N)(=O)=O)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(2)3-4-11-5-7(9-10-11)14(8,12)13/h5-6H,3-4H2,1-2H3,(H2,8,12,13)
InChIKeyQUGBLVPPUHCPOZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.03
Rot. Bonds4

About 1-(3-methylbutyl)triazole-4-sulfonamide

1-(3-methylbutyl)triazole-4-sulfonamide (PubChem CID 167782575) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(3-methylbutyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-methylbutyl)triazole-4-sulfonamide
PubChem CID167782575
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name1-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCn1cc(S(N)(=O)=O)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(2)3-4-11-5-7(9-10-11)14(8,12)13/h5-6H,3-4H2,1-2H3,(H2,8,12,13)
InChIKeyQUGBLVPPUHCPOZ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylbutyl)triazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)triazole-4-sulfonamide?
The IUPAC name of 1-(3-methylbutyl)triazole-4-sulfonamide (CID 167782575) is 1-(3-methylbutyl)triazole-4-sulfonamide.
What is the SMILES notation for 1-(3-methylbutyl)triazole-4-sulfonamide?
The canonical SMILES for 1-(3-methylbutyl)triazole-4-sulfonamide is CC(C)CCn1cc(S(N)(=O)=O)nn1.
What is the InChIKey of 1-(3-methylbutyl)triazole-4-sulfonamide?
The InChIKey is QUGBLVPPUHCPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(2)3-4-11-5-7(9-10-11)14(8,12)13/h5-6H,3-4H2,1-2H3,(H2,8,12,13).
What are the key properties of 1-(3-methylbutyl)triazole-4-sulfonamide?
1-(3-methylbutyl)triazole-4-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)triazole-4-sulfonamide is sourced from PubChem (CID 167782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).