3-cyclohexyl-3-methylthiazinane 1,1-dioxide

C11H21NO2S — CID 118226841

IUPAC3-cyclohexyl-3-methylthiazinane 1,1-dioxide
SMILESCC1(C2CCCCC2)CCCS(=O)(=O)N1
InChIInChI=1S/C11H21NO2S/c1-11(10-6-3-2-4-7-10)8-5-9-15(13,14)12-11/h10,12H,2-9H2,1H3
InChIKeyWZLIXHKYDOEAHS-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.04
Rot. Bonds1

About 3-cyclohexyl-3-methylthiazinane 1,1-dioxide

3-cyclohexyl-3-methylthiazinane 1,1-dioxide (PubChem CID 118226841) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-cyclohexyl-3-methylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclohexyl-3-methylthiazinane 1,1-dioxide
PubChem CID118226841
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name3-cyclohexyl-3-methylthiazinane 1,1-dioxide
SMILESCC1(C2CCCCC2)CCCS(=O)(=O)N1
InChIInChI=1S/C11H21NO2S/c1-11(10-6-3-2-4-7-10)8-5-9-15(13,14)12-11/h10,12H,2-9H2,1H3
InChIKeyWZLIXHKYDOEAHS-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-methylthiazinane 1,1-dioxide?
The IUPAC name of 3-cyclohexyl-3-methylthiazinane 1,1-dioxide (CID 118226841) is 3-cyclohexyl-3-methylthiazinane 1,1-dioxide.
What is the SMILES notation for 3-cyclohexyl-3-methylthiazinane 1,1-dioxide?
The canonical SMILES for 3-cyclohexyl-3-methylthiazinane 1,1-dioxide is CC1(C2CCCCC2)CCCS(=O)(=O)N1.
What is the InChIKey of 3-cyclohexyl-3-methylthiazinane 1,1-dioxide?
The InChIKey is WZLIXHKYDOEAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(10-6-3-2-4-7-10)8-5-9-15(13,14)12-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-3-methylthiazinane 1,1-dioxide?
3-cyclohexyl-3-methylthiazinane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-methylthiazinane 1,1-dioxide is sourced from PubChem (CID 118226841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).