3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C15H28N2O2S — CID 87018946

IUPAC3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCSCCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-20-12-5-15(18)17-6-3-14(4-7-17)13-16-8-10-19-11-9-16/h14H,2-13H2,1H3
InChIKeyGLVBURQLWGLHKX-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.70
Rot. Bonds6

About 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 87018946) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID87018946
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCSCCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-20-12-5-15(18)17-6-3-14(4-7-17)13-16-8-10-19-11-9-16/h14H,2-13H2,1H3
InChIKeyGLVBURQLWGLHKX-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.70
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-Methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
CID 75360759
3-Morpholino-4-morpholinocarbonylmethylthiolane
CID 129799793
4,4'-[Thiobis(1-oxo-3,1-propanediyl)]dimorpholine
CID 2179601
1-(2-Methoxyethyl)-5-(4-thiomorpholinylcarbonyl)-2-piperidinone
CID 45198542
3-Butylsulfanyl-2-methyl-1-morpholin-4-ylpropan-1-one
CID 23534468
1-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
(2S)-N,N,2-trimethyl-3-(2-morpholin-4-ylethylsulfanyl)propanamide
CID 68029592
(3R)-3-methyl-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 70315481
(1-Ethylsulfanylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 123996910
1-[4-(1-Ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 135224642
1-[4-[(3-Methoxypiperidin-1-yl)methyl]piperidin-1-yl]-2-sulfanylpropan-1-one
CID 141215277
2-Methoxy-1-[4-[[1-(2-methylsulfanylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
CID 145317124

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 87018946) is 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is CCSCCC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GLVBURQLWGLHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-2-20-12-5-15(18)17-6-3-14(4-7-17)13-16-8-10-19-11-9-16/h14H,2-13H2,1H3.
What are the key properties of 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 300.47 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 87018946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).