[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol

C12H23NO2S — CID 62265458

IUPAC[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
SMILESO=S1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c14-11-12(4-2-1-3-5-12)10-13-6-8-16(15)9-7-13/h14H,1-11H2
InChIKeyXVYFBLROPJGBOC-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.99
Rot. Bonds3

About [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol

[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol (PubChem CID 62265458) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
PubChem CID62265458
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
SMILESO=S1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c14-11-12(4-2-1-3-5-12)10-13-6-8-16(15)9-7-13/h14H,1-11H2
InChIKeyXVYFBLROPJGBOC-UHFFFAOYSA-N
XLogP0.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol (CID 62265458) is [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol is O=S1CCN(CC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol?
The InChIKey is XVYFBLROPJGBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-11-12(4-2-1-3-5-12)10-13-6-8-16(15)9-7-13/h14H,1-11H2.
What are the key properties of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol?
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol has a molecular weight of 245.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 62265458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).