1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

C13H22N2O3S — CID 45198542

IUPAC1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCSCC2)CCC1=O
InChIInChI=1S/C13H22N2O3S/c1-18-7-4-15-10-11(2-3-12(15)16)13(17)14-5-8-19-9-6-14/h11H,2-10H2,1H3
InChIKeyLHPDAWVAOCVZKE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.45
Rot. Bonds4

About 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 45198542) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID45198542
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCSCC2)CCC1=O
InChIInChI=1S/C13H22N2O3S/c1-18-7-4-15-10-11(2-3-12(15)16)13(17)14-5-8-19-9-6-14/h11H,2-10H2,1H3
InChIKeyLHPDAWVAOCVZKE-UHFFFAOYSA-N
XLogP0.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 45198542) is 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is COCCN1CC(C(=O)N2CCSCC2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is LHPDAWVAOCVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-7-4-15-10-11(2-3-12(15)16)13(17)14-5-8-19-9-6-14/h11H,2-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 286.40 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 45198542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).