N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide

C8H16N4O2S — CID 47372428

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1nncn1C
InChIInChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-7(3)8-10-9-5-12(8)4/h5-7,11H,1-4H3
InChIKeyGTJFVBAJJCJHST-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.20
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide (PubChem CID 47372428) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide
PubChem CID47372428
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1nncn1C
InChIInChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-7(3)8-10-9-5-12(8)4/h5-7,11H,1-4H3
InChIKeyGTJFVBAJJCJHST-UHFFFAOYSA-N
XLogP0.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide (CID 47372428) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide is CC(NS(=O)(=O)C(C)C)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide?
The InChIKey is GTJFVBAJJCJHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-7(3)8-10-9-5-12(8)4/h5-7,11H,1-4H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 47372428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).