5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide

C9H10ClNO2S — CID 175220148

IUPAC5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide
SMILESCC1NS(=O)OC1c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2S/c1-6-9(13-14(12)11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyARTLLQXINFEAOL-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.97
Rot. Bonds1

About 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide

5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide (PubChem CID 175220148) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide
PubChem CID175220148
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide
SMILESCC1NS(=O)OC1c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2S/c1-6-9(13-14(12)11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyARTLLQXINFEAOL-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide (CID 175220148) is 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide is CC1NS(=O)OC1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide?
The InChIKey is ARTLLQXINFEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-6-9(13-14(12)11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide?
5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide has a molecular weight of 231.70 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide is sourced from PubChem (CID 175220148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).