4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide

C11H20N4O3S — CID 113366525

IUPAC4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)Cn1c(CC2CCCO2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-8(2)7-15-10(6-9-4-3-5-18-9)13-14-11(15)19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyQBZWUBSNSAOGDH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.30
Rot. Bonds5

About 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide

4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366525) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366525
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)Cn1c(CC2CCCO2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-8(2)7-15-10(6-9-4-3-5-18-9)13-14-11(15)19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyQBZWUBSNSAOGDH-UHFFFAOYSA-N
XLogP0.30
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
CID 113366512
4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 115395688
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 115393989
3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150062
2-[[5-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300628
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654
N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]ethanamine
CID 45225373
[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362103
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396838
4-tert-butyl-3-(chloromethyl)-5-(oxan-2-ylmethyl)-1,2,4-triazole
CID 115397943
1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340007
N-methyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]cyclohexanamine
CID 45247263

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide (CID 113366525) is 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide is CC(C)Cn1c(CC2CCCO2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is QBZWUBSNSAOGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8(2)7-15-10(6-9-4-3-5-18-9)13-14-11(15)19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17).
What are the key properties of 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide?
4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).