3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

C13H23NO2S — CID 56826301

IUPAC3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCS(=O)CC1
InChIInChI=1S/C13H23NO2S/c15-13(14-8-10-17(16)11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyCFIRYBZFMBVMSV-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.94
Rot. Bonds3

About 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 56826301) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID56826301
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCS(=O)CC1
InChIInChI=1S/C13H23NO2S/c15-13(14-8-10-17(16)11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyCFIRYBZFMBVMSV-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (CID 56826301) is 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCS(=O)CC1.
What is the InChIKey of 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is CFIRYBZFMBVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c15-13(14-8-10-17(16)11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2.
What are the key properties of 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 257.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 56826301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).