N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide

C6H10N4O3S — CID 83102668

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3H,1,4H2,2H3,(H2,7,8,9,10)
InChIKeyKMZQXOKTZNWTEI-UHFFFAOYSA-N
MW218.24 g/mol
LogP-0.26
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide (PubChem CID 83102668) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
PubChem CID83102668
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3H,1,4H2,2H3,(H2,7,8,9,10)
InChIKeyKMZQXOKTZNWTEI-UHFFFAOYSA-N
XLogP-0.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
CID 83102790
N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
CID 79673202
2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 83093070
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-2-sulfonamide
CID 83095403
1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 83095488
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropane-1-sulfonamide
CID 83095581
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
CID 83096029
3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 83100947
N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide
CID 83101640
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 83101648
N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 83101872
N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
CID 83101989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide (CID 83102668) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The InChIKey is KMZQXOKTZNWTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3H,1,4H2,2H3,(H2,7,8,9,10).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide has a molecular weight of 218.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 83102668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).