2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide

C11H19NO2S — CID 13288914

IUPAC2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide
SMILESCC1=CCN(C2CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/c1-10-7-8-12(15(13,14)9-10)11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3
InChIKeyCMSXCVKECVVZIY-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.91
Rot. Bonds1

About 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide

2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide (PubChem CID 13288914) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide
PubChem CID13288914
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide
SMILESCC1=CCN(C2CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/c1-10-7-8-12(15(13,14)9-10)11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3
InChIKeyCMSXCVKECVVZIY-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cvbxccfyexiuai-uhfffaoysa-
CID 13288909
Bzlvqiybhpgkla-uhfffaoysa-
CID 13288911

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide (CID 13288914) is 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide is CC1=CCN(C2CCCCC2)S(=O)(=O)C1.
What is the InChIKey of 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide?
The InChIKey is CMSXCVKECVVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10-7-8-12(15(13,14)9-10)11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide?
2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide has a molecular weight of 229.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide is sourced from PubChem (CID 13288914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).