N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide

C8H14N4O3S — CID 62049178

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C8H14N4O3S/c13-16(14,7-1-3-15-4-2-7)11-5-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12)
InChIKeyUEIUDNLIDRJLTP-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.60
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide (PubChem CID 62049178) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
PubChem CID62049178
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C8H14N4O3S/c13-16(14,7-1-3-15-4-2-7)11-5-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12)
InChIKeyUEIUDNLIDRJLTP-UHFFFAOYSA-N
XLogP-0.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide (CID 62049178) is N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide is O=S(=O)(NCc1ncn[nH]1)C1CCOCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide?
The InChIKey is UEIUDNLIDRJLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c13-16(14,7-1-3-15-4-2-7)11-5-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide is sourced from PubChem (CID 62049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).