2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide

C12H21NO2S — CID 13288911

IUPAC2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide
SMILESCC1=C(C)CS(=O)(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H21NO2S/c1-10-8-13(12-6-4-3-5-7-12)16(14,15)9-11(10)2/h12H,3-9H2,1-2H3
InChIKeyBZLVQIYBHPGKLA-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.30
Rot. Bonds1

About 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide

2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide (PubChem CID 13288911) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide
PubChem CID13288911
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide
SMILESCC1=C(C)CS(=O)(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H21NO2S/c1-10-8-13(12-6-4-3-5-7-12)16(14,15)9-11(10)2/h12H,3-9H2,1-2H3
InChIKeyBZLVQIYBHPGKLA-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cvbxccfyexiuai-uhfffaoysa-
CID 13288909
N,N-dicyclohexylethanesulfonamide
CID 3554785
N,N-dicyclohexylpropane-2-sulfonamide
CID 64586724
N-cyclohexyl-N-pentan-2-ylethanesulfonamide
CID 70990681
2-Cyclohexyl-5-methyl-3,6-dihydrothiazine 1,1-dioxide
CID 13288914
(Z)-4-(cyclohexylazaniumyl)-2,3-dimethylbut-2-ene-1-sulfonate
CID 23262662
N-cyclohexyl-N-ethylpropane-2-sulfonamide
CID 61360428
N-cyclohexyl-N-ethylethanesulfonamide
CID 61360429
N-cyclohexyl-N-ethylpropane-1-sulfonamide
CID 61383966
N,N-dicyclohexylpropane-1-sulfonamide
CID 64586912

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide (CID 13288911) is 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide is CC1=C(C)CS(=O)(=O)N(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide?
The InChIKey is BZLVQIYBHPGKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-10-8-13(12-6-4-3-5-7-12)16(14,15)9-11(10)2/h12H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide?
2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide has a molecular weight of 243.37 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5-dimethyl-3,6-dihydrothiazine 1,1-dioxide is sourced from PubChem (CID 13288911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).