N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide

C5H10N4O2S — CID 155316060

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cncn1
InChIInChI=1S/C5H10N4O2S/c1-12(10,11)8-2-3-9-5-6-4-7-9/h4-5,8H,2-3H2,1H3
InChIKeyMPHWCQCYIWXEIH-UHFFFAOYSA-N
MW190.23 g/mol
LogP-1.17
Rot. Bonds4

About N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide

N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide (PubChem CID 155316060) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
PubChem CID155316060
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cncn1
InChIInChI=1S/C5H10N4O2S/c1-12(10,11)8-2-3-9-5-6-4-7-9/h4-5,8H,2-3H2,1H3
InChIKeyMPHWCQCYIWXEIH-UHFFFAOYSA-N
XLogP-1.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide (CID 155316060) is N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is MPHWCQCYIWXEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-12(10,11)8-2-3-9-5-6-4-7-9/h4-5,8H,2-3H2,1H3.
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide?
N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 155316060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).