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

C7H14N4O3S — CID 104818544

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C7H14N4O3S/c1-3-5-15(12,13)11-6-8-7(10-9-6)14-4-2/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyMMYSXNFVKNKBDA-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.36
Rot. Bonds6

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 104818544) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID104818544
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C7H14N4O3S/c1-3-5-15(12,13)11-6-8-7(10-9-6)14-4-2/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyMMYSXNFVKNKBDA-UHFFFAOYSA-N
XLogP0.36
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 104818544) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc(OCC)n[nH]1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is MMYSXNFVKNKBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-3-5-15(12,13)11-6-8-7(10-9-6)14-4-2/h3-5H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 104818544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).