N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

C5H10N4O2S — CID 60982562

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-12(10,11)8-3-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9)
InChIKeyAFFAOOMDPYBKPE-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.76
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (PubChem CID 60982562) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
PubChem CID60982562
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-12(10,11)8-3-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9)
InChIKeyAFFAOOMDPYBKPE-UHFFFAOYSA-N
XLogP-0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (CID 60982562) is N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is AFFAOOMDPYBKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-2-12(10,11)8-3-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 60982562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).