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

C6H12N4O3S — CID 63287998

IUPAC3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c1-13-3-2-4-14(11,12)10-6-7-5-8-9-6/h5H,2-4H2,1H3,(H2,7,8,9,10)
InChIKeyQAJLGNVAXYJSCR-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.42
Rot. Bonds6

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

3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 63287998) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID63287998
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c1-13-3-2-4-14(11,12)10-6-7-5-8-9-6/h5H,2-4H2,1H3,(H2,7,8,9,10)
InChIKeyQAJLGNVAXYJSCR-UHFFFAOYSA-N
XLogP-0.42
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 63287998) is 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is COCCCS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is QAJLGNVAXYJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-13-3-2-4-14(11,12)10-6-7-5-8-9-6/h5H,2-4H2,1H3,(H2,7,8,9,10).
What are the key properties of 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 63287998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).