5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

C10H18N4O2S — CID 107003774

IUPAC5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(C2CC2(C)C)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O2S/c1-6(2)14-8(7-5-10(7,3)4)12-13-9(14)17(11,15)16/h6-7H,5H2,1-4H3,(H2,11,15,16)
InChIKeyNLDKGVCMFOKCRY-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.02
Rot. Bonds3

About 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (PubChem CID 107003774) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
PubChem CID107003774
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(C2CC2(C)C)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O2S/c1-6(2)14-8(7-5-10(7,3)4)12-13-9(14)17(11,15)16/h6-7H,5H2,1-4H3,(H2,11,15,16)
InChIKeyNLDKGVCMFOKCRY-UHFFFAOYSA-N
XLogP1.02
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (CID 107003774) is 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is CC(C)n1c(C2CC2(C)C)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The InChIKey is NLDKGVCMFOKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(2)14-8(7-5-10(7,3)4)12-13-9(14)17(11,15)16/h6-7H,5H2,1-4H3,(H2,11,15,16).
What are the key properties of 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide has a molecular weight of 258.35 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 5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 107003774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).