2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine

C11H15NO3S — CID 110740568

IUPAC2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
SMILESCC1OC(c2ccccc2)CN1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-9-12(16(2,13)14)8-11(15-9)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyNIMZFPCQDHIJLI-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.37
Rot. Bonds2

About 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine

2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine (PubChem CID 110740568) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
PubChem CID110740568
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
SMILESCC1OC(c2ccccc2)CN1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-9-12(16(2,13)14)8-11(15-9)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyNIMZFPCQDHIJLI-UHFFFAOYSA-N
XLogP1.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-5-phenyl-1,3-oxazolidine-3-sulfonamide
CID 110740572
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740590
3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740592
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-2-phenylethanone
CID 110740541
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine (CID 110740568) is 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine is CC1OC(c2ccccc2)CN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine?
The InChIKey is NIMZFPCQDHIJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-12(16(2,13)14)8-11(15-9)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine?
2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine has a molecular weight of 241.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 110740568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).