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

C5H10N4O3S — CID 62946305

IUPAC2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4O3S/c1-12-2-3-13(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyOBHABVDWUXFDRP-UHFFFAOYSA-N
MW206.23 g/mol
LogP-0.81
Rot. Bonds5

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

2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide (PubChem CID 62946305) has the molecular formula C5H10N4O3S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
PubChem CID62946305
Molecular FormulaC5H10N4O3S
Molecular Weight206.23 g/mol
Exact Mass206.05
IUPAC Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4O3S/c1-12-2-3-13(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyOBHABVDWUXFDRP-UHFFFAOYSA-N
XLogP-0.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide (CID 62946305) is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide is COCCS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The InChIKey is OBHABVDWUXFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3S/c1-12-2-3-13(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide has a molecular weight of 206.23 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 62946305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).