N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide

C6H10N4O2S — CID 79673895

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O2S/c1-2-3-13(11,12)9-4-6-7-5-8-10-6/h2,5,9H,1,3-4H2,(H,7,8,10)
InChIKeyWMHSBDBXQVCIBA-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.59
Rot. Bonds5

About N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide (PubChem CID 79673895) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
PubChem CID79673895
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O2S/c1-2-3-13(11,12)9-4-6-7-5-8-10-6/h2,5,9H,1,3-4H2,(H,7,8,10)
InChIKeyWMHSBDBXQVCIBA-UHFFFAOYSA-N
XLogP-0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 63666633
methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
CID 61456841
4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 106013145
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
3-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 114137262
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
4-(1H-1,2,4-triazol-5-ylmethylsulfamoylmethyl)benzenecarbothioamide
CID 64530384
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
1-[3-(methylaminomethyl)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 106013300
5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
CID 60982439
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
CID 54883543

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide (CID 79673895) is N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide?
The InChIKey is WMHSBDBXQVCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-2-3-13(11,12)9-4-6-7-5-8-10-6/h2,5,9H,1,3-4H2,(H,7,8,10).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide has a molecular weight of 202.24 g/mol, XLogP of -0.59, 5 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)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).