1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone

C12H20N2O2S — CID 91902506

IUPAC1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone
SMILESCC1CCN(C(=O)C(=S)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-10-2-4-13(5-3-10)11(15)12(17)14-6-8-16-9-7-14/h10H,2-9H2,1H3
InChIKeyXCSBJNPXDURAOZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.90
Rot. Bonds

About 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone

1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone (PubChem CID 91902506) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone
PubChem CID91902506
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone
SMILESCC1CCN(C(=O)C(=S)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-10-2-4-13(5-3-10)11(15)12(17)14-6-8-16-9-7-14/h10H,2-9H2,1H3
InChIKeyXCSBJNPXDURAOZ-UHFFFAOYSA-N
XLogP0.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 16195078
1-(4-(Morpholinomethyl)piperidin-1-yl)ethanone
CID 60773960
1-[4-(2-Methoxyethyl)piperidino]-2-morpholino-1-ethanone
CID 53150907
1-(3-Methylpiperidin-1-yl)-2-morpholinoethanone
CID 57600096
2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 3229435
2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride
CID 53351287
1-(4-Methylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 17634916
2-(4-Methylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 52139490
2-Morpholin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 57826241
1-(4-Tert-butylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 58394696
1-[4-(2-Methylpropyl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59001056
1-(4-Ethylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 67583403

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone (CID 91902506) is 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone is CC1CCN(C(=O)C(=S)N2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The InChIKey is XCSBJNPXDURAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10-2-4-13(5-3-10)11(15)12(17)14-6-8-16-9-7-14/h10H,2-9H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone?
1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone has a molecular weight of 256.37 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-morpholin-4-yl-2-sulfanylideneethanone is sourced from PubChem (CID 91902506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).