2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol

C14H27NO2S — CID 55094296

IUPAC2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H27NO2S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-18(17)9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyHZTIONPVVNAFLE-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.63
Rot. Bonds4

About 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol

2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094296) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID55094296
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H27NO2S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-18(17)9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyHZTIONPVVNAFLE-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 55094340
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 55094438
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105876
[1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
CID 62265458
2-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]cycloheptan-1-ol
CID 62608843
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62608846
4-Tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 62608884
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cycloheptan-1-ol
CID 62608886
2-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609360
4-Methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609361
4-Ethyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609362
4-Propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609363

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol (CID 55094296) is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is HZTIONPVVNAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-18(17)9-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).