N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

C8H14N4O2S — CID 50970837

IUPACN-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H14N4O2S/c1-5(12-15(2,13)14)7-9-8(11-10-7)6-3-4-6/h5-6,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNZWWMMCJJCUQDF-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.29
Rot. Bonds4

About N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (PubChem CID 50970837) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
PubChem CID50970837
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H14N4O2S/c1-5(12-15(2,13)14)7-9-8(11-10-7)6-3-4-6/h5-6,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNZWWMMCJJCUQDF-UHFFFAOYSA-N
XLogP0.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (CID 50970837) is N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NZWWMMCJJCUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5(12-15(2,13)14)7-9-8(11-10-7)6-3-4-6/h5-6,12H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 50970837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).