3-methyl-2-phenyl-4-propylsulfonylmorpholine

C14H21NO3S — CID 110728469

IUPAC3-methyl-2-phenyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccccc2)C1C
InChIInChI=1S/C14H21NO3S/c1-3-11-19(16,17)15-9-10-18-14(12(15)2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyFCCPLCYVCWCIBR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.19
Rot. Bonds4

About 3-methyl-2-phenyl-4-propylsulfonylmorpholine

3-methyl-2-phenyl-4-propylsulfonylmorpholine (PubChem CID 110728469) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-methyl-2-phenyl-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name3-methyl-2-phenyl-4-propylsulfonylmorpholine
PubChem CID110728469
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-methyl-2-phenyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccccc2)C1C
InChIInChI=1S/C14H21NO3S/c1-3-11-19(16,17)15-9-10-18-14(12(15)2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyFCCPLCYVCWCIBR-UHFFFAOYSA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
CID 7353221
1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
CID 5303633
2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine
CID 110740382
3-benzyl-4-propylsulfonylmorpholine
CID 110749966
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide
CID 125142910
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-4-propylsulfonylmorpholine?
The IUPAC name of 3-methyl-2-phenyl-4-propylsulfonylmorpholine (CID 110728469) is 3-methyl-2-phenyl-4-propylsulfonylmorpholine.
What is the SMILES notation for 3-methyl-2-phenyl-4-propylsulfonylmorpholine?
The canonical SMILES for 3-methyl-2-phenyl-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOC(c2ccccc2)C1C.
What is the InChIKey of 3-methyl-2-phenyl-4-propylsulfonylmorpholine?
The InChIKey is FCCPLCYVCWCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-11-19(16,17)15-9-10-18-14(12(15)2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-4-propylsulfonylmorpholine?
3-methyl-2-phenyl-4-propylsulfonylmorpholine has a molecular weight of 283.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-4-propylsulfonylmorpholine is sourced from PubChem (CID 110728469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).