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

C12H23NO2S — CID 62610603

IUPAC4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C12H23NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-12,14H,2-9H2,1H3
InChIKeySRHZMLQYGXWSLG-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.85
Rot. Bonds2

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

4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (PubChem CID 62610603) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
PubChem CID62610603
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C12H23NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-12,14H,2-9H2,1H3
InChIKeySRHZMLQYGXWSLG-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (CID 62610603) is 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is CC1CCC(O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is SRHZMLQYGXWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-12,14H,2-9H2,1H3.
What are the key properties of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 245.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).