[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

C16H24N2O2S — CID 45235011

IUPAC[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-8-13-12-18(10-11-20-13)16(19)14-6-4-5-7-15(14)21-3/h4-7,13H,8-12H2,1-3H3
InChIKeyAKJKGCZXISJTBV-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.20
Rot. Bonds5

About [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 45235011) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID45235011
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(CCN(C)C)C1
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-8-13-12-18(10-11-20-13)16(19)14-6-4-5-7-15(14)21-3/h4-7,13H,8-12H2,1-3H3
InChIKeyAKJKGCZXISJTBV-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Benzylsulfanyl-phenyl)-morpholin-4-yl-methanone
CID 563441
Morpholine, 4,4'-(dithiobis(2,1-phenylenecarbonyl))bis-
CID 72559
[2-(Methylsulfanyl)phenyl](piperidin-1-yl)methanone
CID 2962943
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
N-(3-ethoxypropyl)-2-(ethylsulfanyl)benzamide
CID 2204707
N-(3-methoxypropyl)-2-(methylthio)benzamide
CID 2217867
1-{2-[(2-Methoxyethyl)thio]benzoyl}-3-methylpiperidine
CID 2963122
Ethyl 1-{2-[(2-methoxyethyl)thio]benzoyl}-3-piperidinecarboxylate
CID 2963128
N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 4883700
Sdccgsbi-0117396.P001
CID 24791020
4-[2-(Methylthio)benzoyl]morpholine
CID 966864
N-benzyl-N-methyl-2-(methylthio)benzamide
CID 1294128

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (CID 45235011) is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCOC(CCN(C)C)C1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is AKJKGCZXISJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17(2)9-8-13-12-18(10-11-20-13)16(19)14-6-4-5-7-15(14)21-3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 45235011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).