2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine

C10H17N3O3S — CID 84599896

IUPAC2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCCO2)c1
InChIInChI=1S/C10H17N3O3S/c1-9(2)6-12-7-10(11-8-12)17(14,15)13-4-3-5-16-13/h7-9H,3-6H2,1-2H3
InChIKeyYHJJZOIYLCWTJM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.87
Rot. Bonds4

About 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine

2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine (PubChem CID 84599896) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine
PubChem CID84599896
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCCO2)c1
InChIInChI=1S/C10H17N3O3S/c1-9(2)6-12-7-10(11-8-12)17(14,15)13-4-3-5-16-13/h7-9H,3-6H2,1-2H3
InChIKeyYHJJZOIYLCWTJM-UHFFFAOYSA-N
XLogP0.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine?
The IUPAC name of 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine (CID 84599896) is 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine.
What is the SMILES notation for 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine?
The canonical SMILES for 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine is CC(C)Cn1cnc(S(=O)(=O)N2CCCO2)c1.
What is the InChIKey of 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine?
The InChIKey is YHJJZOIYLCWTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9(2)6-12-7-10(11-8-12)17(14,15)13-4-3-5-16-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine?
2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine has a molecular weight of 259.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine is sourced from PubChem (CID 84599896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).