2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine

C19H23NO3S — CID 47958840

IUPAC2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CCc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C19H23NO3S/c1-16-14-20(15-19(23-16)18-10-6-3-7-11-18)24(21,22)13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyDOMAQVMWFFUNAE-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine

2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine (PubChem CID 47958840) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
PubChem CID47958840
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CCc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C19H23NO3S/c1-16-14-20(15-19(23-16)18-10-6-3-7-11-18)24(21,22)13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyDOMAQVMWFFUNAE-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
4-methyl-2-(2-phenylethylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110750626
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
CID 120895336
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine?
The IUPAC name of 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine (CID 47958840) is 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine.
What is the SMILES notation for 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine?
The canonical SMILES for 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine is CC1CN(S(=O)(=O)CCc2ccccc2)CC(c2ccccc2)O1.
What is the InChIKey of 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine?
The InChIKey is DOMAQVMWFFUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-14-20(15-19(23-16)18-10-6-3-7-11-18)24(21,22)13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine?
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine has a molecular weight of 345.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine is sourced from PubChem (CID 47958840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).