2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide

C6H12N4O4S — CID 83093070

IUPAC2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H12N4O4S/c1-13-3-4-15(11,12)10-5-7-6(14-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyCLCWSYUMRQFEEH-UHFFFAOYSA-N
MW236.25 g/mol
LogP-0.80
Rot. Bonds6

About 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide

2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (PubChem CID 83093070) has the molecular formula C6H12N4O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
PubChem CID83093070
Molecular FormulaC6H12N4O4S
Molecular Weight236.25 g/mol
Exact Mass236.06
IUPAC Name2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H12N4O4S/c1-13-3-4-15(11,12)10-5-7-6(14-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyCLCWSYUMRQFEEH-UHFFFAOYSA-N
XLogP-0.80
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (CID 83093070) is 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is COCCS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The InChIKey is CLCWSYUMRQFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4S/c1-13-3-4-15(11,12)10-5-7-6(14-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide has a molecular weight of 236.25 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 83093070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).