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

C11H21NO2S — CID 63950222

IUPAC1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESO=S1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C11H21NO2S/c13-11(4-2-1-3-5-11)10-12-6-8-15(14)9-7-12/h13H,1-10H2
InChIKeyQAJMBVCKIVVNNV-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.75
Rot. Bonds2

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

1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (PubChem CID 63950222) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
PubChem CID63950222
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESO=S1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C11H21NO2S/c13-11(4-2-1-3-5-11)10-12-6-8-15(14)9-7-12/h13H,1-10H2
InChIKeyQAJMBVCKIVVNNV-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.75
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]cyclohexan-1-ol?
The IUPAC name of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (CID 63950222) is 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is O=S1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is QAJMBVCKIVVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-11(4-2-1-3-5-11)10-12-6-8-15(14)9-7-12/h13H,1-10H2.
What are the key properties of 1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 231.36 g/mol, XLogP of 0.75, 2 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]cyclohexan-1-ol is sourced from PubChem (CID 63950222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).