1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone

C14H26N2O2S — CID 75360759

IUPAC1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
SMILESCC1CCN(C(=O)CSCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-13-2-4-16(5-3-13)14(17)12-19-11-8-15-6-9-18-10-7-15/h13H,2-12H2,1H3
InChIKeyDVDWSTQCJOEWGJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.31
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone

1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone (PubChem CID 75360759) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
PubChem CID75360759
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
SMILESCC1CCN(C(=O)CSCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-13-2-4-16(5-3-13)14(17)12-19-11-8-15-6-9-18-10-7-15/h13H,2-12H2,1H3
InChIKeyDVDWSTQCJOEWGJ-UHFFFAOYSA-N
XLogP1.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-(Morpholinomethyl)piperidin-1-yl)ethanone
CID 60773960
3-Morpholino-4-morpholinocarbonylmethylthiolane
CID 129799793
1-(2-Methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 45198542
1-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
(3R)-3-methyl-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 70315481
(1-Ethylsulfanylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 123996910
1-[4-[(3-Methoxypiperidin-1-yl)methyl]piperidin-1-yl]-2-sulfanylethanone
CID 141215281
2-Methoxy-1-[4-[[1-(2-methylsulfanylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
CID 145317124
1-[4-(3-Methylsulfanylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 155402050
2-Methyl-1-morpholin-4-yl-3-thiomorpholin-4-ylpropane-1,3-dione
CID 173367116
(2-Morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
CID 3880988
1-Morpholin-4-yl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpropan-1-one
CID 14367453

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone (CID 75360759) is 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone is CC1CCN(C(=O)CSCCN2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone?
The InChIKey is DVDWSTQCJOEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13-2-4-16(5-3-13)14(17)12-19-11-8-15-6-9-18-10-7-15/h13H,2-12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone has a molecular weight of 286.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone is sourced from PubChem (CID 75360759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).