(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide

C11H15NO2S — CID 23584844

IUPAC(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)N1[C@H](c2ccccc2)COS1=O
InChIInChI=1S/C11H15NO2S/c1-9(2)12-11(8-14-15(12)13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-,15?/m0/s1
InChIKeyQQRJINKIAHDMCP-VPHXOMNUSA-N
MW225.31 g/mol
LogP2.05
Rot. Bonds2

About (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide

(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide (PubChem CID 23584844) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide
PubChem CID23584844
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)N1[C@H](c2ccccc2)COS1=O
InChIInChI=1S/C11H15NO2S/c1-9(2)12-11(8-14-15(12)13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-,15?/m0/s1
InChIKeyQQRJINKIAHDMCP-VPHXOMNUSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
CID 10921184
ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
CID 153315857
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
3-methyl-4-phenyl-1,3-oxazolidine
CID 19920145
1-methyl-2-phenylazetidine
CID 576373
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
(4S,6S,8aS)-4-phenyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 25179616

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide?
The IUPAC name of (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide (CID 23584844) is (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide.
What is the SMILES notation for (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide?
The canonical SMILES for (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide is CC(C)N1[C@H](c2ccccc2)COS1=O.
What is the InChIKey of (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide?
The InChIKey is QQRJINKIAHDMCP-VPHXOMNUSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(2)12-11(8-14-15(12)13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide?
(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide has a molecular weight of 225.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide is sourced from PubChem (CID 23584844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).