1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C8H14N4O3S — CID 63247387

IUPAC1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O3S/c13-16(14,5-7-2-1-3-15-7)11-4-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12)
InChIKeyIBQUFDGGMXUZAF-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.60
Rot. Bonds5

About 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 63247387) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID63247387
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O3S/c13-16(14,5-7-2-1-3-15-7)11-4-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12)
InChIKeyIBQUFDGGMXUZAF-UHFFFAOYSA-N
XLogP-0.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 63247387) is 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCO1)NCc1ncn[nH]1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is IBQUFDGGMXUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c13-16(14,5-7-2-1-3-15-7)11-4-8-9-6-10-12-8/h6-7,11H,1-5H2,(H,9,10,12).
What are the key properties of 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63247387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).