(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine

C12H17NO4S — CID 23269472

IUPAC(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCO[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)O1
InChIInChI=1S/C12H17NO4S/c1-9-4-6-11(7-5-9)18(14,15)13-8-12(16-3)17-10(13)2/h4-7,10,12H,8H2,1-3H3/t10-,12-/m1/s1
InChIKeyFLQXTPCDVZVUBW-ZYHUDNBSSA-N
MW271.34 g/mol
LogP1.33
Rot. Bonds3

About (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine

(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 23269472) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
PubChem CID23269472
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCO[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)O1
InChIInChI=1S/C12H17NO4S/c1-9-4-6-11(7-5-9)18(14,15)13-8-12(16-3)17-10(13)2/h4-7,10,12H,8H2,1-3H3/t10-,12-/m1/s1
InChIKeyFLQXTPCDVZVUBW-ZYHUDNBSSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 76663943
(2R,4aR,5S,7aR)-2-methoxy-7-(4-methylphenyl)sulfonyl-5-phenyl-3,4,4a,5,6,7a-hexahydro-2H-pyrano[2,3-b]pyrrole
CID 101118689
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
(1R,4S,7R)-7-methoxy-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 124547473
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2S,4R)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 165357520
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
dimethyl (2S,3S,4R)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2,3-dicarboxylate
CID 15525265
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine (CID 23269472) is (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine is CO[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C)O1.
What is the InChIKey of (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is FLQXTPCDVZVUBW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-4-6-11(7-5-9)18(14,15)13-8-12(16-3)17-10(13)2/h4-7,10,12H,8H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
(2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 271.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methoxy-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 23269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).