(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide

C14H19NO2S — CID 129385009

IUPAC(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
SMILESO=[S@]1O[C@H](c2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C14H19NO2S/c16-18-15(13-9-5-2-6-10-13)11-14(17-18)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2/t14-,18-/m0/s1
InChIKeyMGHPESGPQYBMSU-KSSFIOAISA-N
MW265.38 g/mol
LogP2.97
Rot. Bonds2

About (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide

(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide (PubChem CID 129385009) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
PubChem CID129385009
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
SMILESO=[S@]1O[C@H](c2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C14H19NO2S/c16-18-15(13-9-5-2-6-10-13)11-14(17-18)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2/t14-,18-/m0/s1
InChIKeyMGHPESGPQYBMSU-KSSFIOAISA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide?
The IUPAC name of (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide (CID 129385009) is (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide.
What is the SMILES notation for (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide?
The canonical SMILES for (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide is O=[S@]1O[C@H](c2ccccc2)CN1C1CCCCC1.
What is the InChIKey of (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide?
The InChIKey is MGHPESGPQYBMSU-KSSFIOAISA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18-15(13-9-5-2-6-10-13)11-14(17-18)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2/t14-,18-/m0/s1.
What are the key properties of (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide?
(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide has a molecular weight of 265.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide is sourced from PubChem (CID 129385009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).