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

C14H21NO3S — CID 110292406

IUPAC3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
SMILESCc1ccc(CS(=O)(=O)N2C(C)COCC2C)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-14(7-5-11)10-19(16,17)15-12(2)8-18-9-13(15)3/h4-7,12-13H,8-10H2,1-3H3
InChIKeyIHINAWBIQQCQIA-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.93
Rot. Bonds3

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

3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine (PubChem CID 110292406) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine.

Molecular Properties

Compound Name3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
PubChem CID110292406
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
SMILESCc1ccc(CS(=O)(=O)N2C(C)COCC2C)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-14(7-5-11)10-19(16,17)15-12(2)8-18-9-13(15)3/h4-7,12-13H,8-10H2,1-3H3
InChIKeyIHINAWBIQQCQIA-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-[(3-methylphenyl)methylsulfonyl]morpholine
CID 110292405
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110637600
2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
7-[(4-methylphenyl)methylsulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072666
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
2,6-dimethyl-1-[(4-nitrophenyl)methylsulfonyl]piperazine
CID 63910802
2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871849
4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
CID 110721477
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
4-[(4-methylphenyl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314596

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine?
The IUPAC name of 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine (CID 110292406) is 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine.
What is the SMILES notation for 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine?
The canonical SMILES for 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine is Cc1ccc(CS(=O)(=O)N2C(C)COCC2C)cc1.
What is the InChIKey of 3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine?
The InChIKey is IHINAWBIQQCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-4-6-14(7-5-11)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-[(4-methylphenyl)methylsulfonyl]morpholine?
3,5-dimethyl-4-[(4-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-[(4-methylphenyl)methylsulfonyl]morpholine is sourced from PubChem (CID 110292406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).