4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one

C13H23NO2S — CID 62612554

IUPAC4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C13H23NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-12H,2-10H2,1H3
InChIKeyVILYBGZROPRZDJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.45
Rot. Bonds3

About 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one

4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one (PubChem CID 62612554) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
PubChem CID62612554
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C13H23NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-12H,2-10H2,1H3
InChIKeyVILYBGZROPRZDJ-UHFFFAOYSA-N
XLogP1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one (CID 62612554) is 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The InChIKey is VILYBGZROPRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-11-3-4-13(15)12(9-11)10-14-5-7-17(16)8-6-14/h11-12H,2-10H2,1H3.
What are the key properties of 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one has a molecular weight of 257.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62612554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).