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

C17H28N2O2S — CID 45233368

IUPAC1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CC1CCCCC1
InChIInChI=1S/C17H28N2O2S/c20-16-7-6-15(17(21)18-8-10-22-11-9-18)13-19(16)12-14-4-2-1-3-5-14/h14-15H,1-13H2
InChIKeyXNIUGMUXTVHJMU-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.38
Rot. Bonds3

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

1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 45233368) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID45233368
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CC1CCCCC1
InChIInChI=1S/C17H28N2O2S/c20-16-7-6-15(17(21)18-8-10-22-11-9-18)13-19(16)12-14-4-2-1-3-5-14/h14-15H,1-13H2
InChIKeyXNIUGMUXTVHJMU-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 45233368) is 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCSCC2)CN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is XNIUGMUXTVHJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c20-16-7-6-15(17(21)18-8-10-22-11-9-18)13-19(16)12-14-4-2-1-3-5-14/h14-15H,1-13H2.
What are the key properties of 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 324.49 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 45233368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).