5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide

C11H18N2O4S — CID 138018113

IUPAC5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide
SMILESCC1(C)CC(S(=O)(=O)NCCc2cnoc2)CO1
InChIInChI=1S/C11H18N2O4S/c1-11(2)5-10(8-16-11)18(14,15)13-4-3-9-6-12-17-7-9/h6-7,10,13H,3-5,8H2,1-2H3
InChIKeyAUUWMHTVCOXVDW-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.70
Rot. Bonds5

About 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide

5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide (PubChem CID 138018113) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide
PubChem CID138018113
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide
SMILESCC1(C)CC(S(=O)(=O)NCCc2cnoc2)CO1
InChIInChI=1S/C11H18N2O4S/c1-11(2)5-10(8-16-11)18(14,15)13-4-3-9-6-12-17-7-9/h6-7,10,13H,3-5,8H2,1-2H3
InChIKeyAUUWMHTVCOXVDW-UHFFFAOYSA-N
XLogP0.70
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide?
The IUPAC name of 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide (CID 138018113) is 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide.
What is the SMILES notation for 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide?
The canonical SMILES for 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide is CC1(C)CC(S(=O)(=O)NCCc2cnoc2)CO1.
What is the InChIKey of 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide?
The InChIKey is AUUWMHTVCOXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(2)5-10(8-16-11)18(14,15)13-4-3-9-6-12-17-7-9/h6-7,10,13H,3-5,8H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide?
5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(1,2-oxazol-4-yl)ethyl]oxolane-3-sulfonamide is sourced from PubChem (CID 138018113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).