1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide

C11H19N3O3S — CID 81340009

IUPAC1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1C1CCOCC1
InChIInChI=1S/C11H19N3O3S/c1-8(2)11-13-10(18(12,15)16)7-14(11)9-3-5-17-6-4-9/h7-9H,3-6H2,1-2H3,(H2,12,15,16)
InChIKeyFHXVGKPWJMCIFY-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.01
Rot. Bonds3

About 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide

1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340009) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340009
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1C1CCOCC1
InChIInChI=1S/C11H19N3O3S/c1-8(2)11-13-10(18(12,15)16)7-14(11)9-3-5-17-6-4-9/h7-9H,3-6H2,1-2H3,(H2,12,15,16)
InChIKeyFHXVGKPWJMCIFY-UHFFFAOYSA-N
XLogP1.01
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81340009) is 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is FHXVGKPWJMCIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8(2)11-13-10(18(12,15)16)7-14(11)9-3-5-17-6-4-9/h7-9H,3-6H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).