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

C12H22N4O2S — CID 113366512

IUPAC5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)Cn1c(CC2CCCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-9(2)8-16-11(7-10-5-3-4-6-10)14-15-12(16)19(13,17)18/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyOHZHPZLDOHFPFH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.31
Rot. Bonds5

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

5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366512) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366512
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)Cn1c(CC2CCCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-9(2)8-16-11(7-10-5-3-4-6-10)14-15-12(16)19(13,17)18/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyOHZHPZLDOHFPFH-UHFFFAOYSA-N
XLogP1.31
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366525
4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
CID 103167679
5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
CID 113366514
3-(chloromethyl)-5-(cycloheptylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 114459446
4-cyclopropyl-5-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl fluoride
CID 165466296
3-(chloromethyl)-5-cycloheptyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115398555
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183
2-[[5-(cycloheptylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114458290
3-(chloromethyl)-5-(cyclohexylmethyl)-4-cyclopropyl-1,2,4-triazole
CID 115397776
3-(bromomethyl)-5-(cycloheptylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 114459452
5-(cyclopentylmethyl)-1-methyltetrazole
CID 67592624
5-(3-bicyclo[3.1.0]hexanyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366237

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide (CID 113366512) is 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide is CC(C)Cn1c(CC2CCCC2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is OHZHPZLDOHFPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)8-16-11(7-10-5-3-4-6-10)14-15-12(16)19(13,17)18/h9-10H,3-8H2,1-2H3,(H2,13,17,18).
What are the key properties of 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide?
5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).