3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine

C14H21NO3S — CID 110292405

IUPAC3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine
SMILESCc1cccc(CS(=O)(=O)N2C(C)COCC2C)c1
InChIInChI=1S/C14H21NO3S/c1-11-5-4-6-14(7-11)10-19(16,17)15-12(2)8-18-9-13(15)3/h4-7,12-13H,8-10H2,1-3H3
InChIKeyGLUMPNNPLNYFJP-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.93
Rot. Bonds3

About 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine

3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine (PubChem CID 110292405) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine
PubChem CID110292405
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine
SMILESCc1cccc(CS(=O)(=O)N2C(C)COCC2C)c1
InChIInChI=1S/C14H21NO3S/c1-11-5-4-6-14(7-11)10-19(16,17)15-12(2)8-18-9-13(15)3/h4-7,12-13H,8-10H2,1-3H3
InChIKeyGLUMPNNPLNYFJP-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110292406
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
3-methyl-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 110750687
5-[(3-methylphenyl)methylsulfonyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 122245178
(3R)-3-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 124619149
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011
2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871848
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
(2S)-4-[(3-chlorophenyl)methyl]-2-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 141177938
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine?
The IUPAC name of 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine (CID 110292405) is 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine.
What is the SMILES notation for 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine?
The canonical SMILES for 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine is Cc1cccc(CS(=O)(=O)N2C(C)COCC2C)c1.
What is the InChIKey of 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine?
The InChIKey is GLUMPNNPLNYFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-5-4-6-14(7-11)10-19(16,17)15-12(2)8-18-9-13(15)3/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine?
3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine has a molecular weight of 283.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine is sourced from PubChem (CID 110292405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).