(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone

C14H19NO2S — CID 42942154

IUPAC(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H19NO2S/c1-10-4-5-12(18-3)8-13(10)14(16)15-6-7-17-11(2)9-15/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeySVBZATYWYVAACI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds2

About (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone

(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 42942154) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID42942154
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H19NO2S/c1-10-4-5-12(18-3)8-13(10)14(16)15-6-7-17-11(2)9-15/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeySVBZATYWYVAACI-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63720294
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
5-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122118920
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119379154
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
(2-methyl-5-methylsulfanylphenyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 126819382
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone
CID 107406546

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone (CID 42942154) is (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone is CSc1ccc(C)c(C(=O)N2CCOC(C)C2)c1.
What is the InChIKey of (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is SVBZATYWYVAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-4-5-12(18-3)8-13(10)14(16)15-6-7-17-11(2)9-15/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone?
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 42942154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).