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

C7H14N4O4S — CID 83100947

IUPAC3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C7H14N4O4S/c1-14-4-3-5-16(12,13)11-6-8-7(15-2)10-9-6/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyHFLPOMLUOKINFK-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.41
Rot. Bonds7

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

3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 83100947) has the molecular formula C7H14N4O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID83100947
Molecular FormulaC7H14N4O4S
Molecular Weight250.28 g/mol
Exact Mass250.07
IUPAC Name3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C7H14N4O4S/c1-14-4-3-5-16(12,13)11-6-8-7(15-2)10-9-6/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyHFLPOMLUOKINFK-UHFFFAOYSA-N
XLogP-0.41
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 83100947) is 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is COCCCS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is HFLPOMLUOKINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4S/c1-14-4-3-5-16(12,13)11-6-8-7(15-2)10-9-6/h3-5H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 250.28 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 83100947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).