4-ethyl-4-phenyloxathiazolidine 2,2-dioxide

C10H13NO3S — CID 134832744

IUPAC4-ethyl-4-phenyloxathiazolidine 2,2-dioxide
SMILESCCC1(c2ccccc2)COS(=O)(=O)N1
InChIInChI=1S/C10H13NO3S/c1-2-10(8-14-15(12,13)11-10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyIILHJNSLZLDMPK-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.16
Rot. Bonds2

About 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide

4-ethyl-4-phenyloxathiazolidine 2,2-dioxide (PubChem CID 134832744) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-4-phenyloxathiazolidine 2,2-dioxide
PubChem CID134832744
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-ethyl-4-phenyloxathiazolidine 2,2-dioxide
SMILESCCC1(c2ccccc2)COS(=O)(=O)N1
InChIInChI=1S/C10H13NO3S/c1-2-10(8-14-15(12,13)11-10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyIILHJNSLZLDMPK-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide?
The IUPAC name of 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide (CID 134832744) is 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide is CCC1(c2ccccc2)COS(=O)(=O)N1.
What is the InChIKey of 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide?
The InChIKey is IILHJNSLZLDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-10(8-14-15(12,13)11-10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3.
What are the key properties of 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide?
4-ethyl-4-phenyloxathiazolidine 2,2-dioxide has a molecular weight of 227.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-phenyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 134832744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).