3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide

C9H16O2S — CID 22943738

IUPAC3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide
SMILESCC1=C(C)CS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C9H16O2S/c1-7-5-9(3,4)12(10,11)6-8(7)2/h5-6H2,1-4H3
InChIKeyJEIRJKICHABQPQ-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.92
Rot. Bonds

About 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide

3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide (PubChem CID 22943738) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide.

Molecular Properties

Compound Name3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide
PubChem CID22943738
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide
SMILESCC1=C(C)CS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C9H16O2S/c1-7-5-9(3,4)12(10,11)6-8(7)2/h5-6H2,1-4H3
InChIKeyJEIRJKICHABQPQ-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.92
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

4,5-dimethyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 155935628
(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413317
(2S)-3-ethyl-2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413489
1,4-Cyclohexadiene, 1-(difluoromethyl)-4,5-dimethyl-2-(propylsulfonyl)-
CID 11807551
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330835
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran 1-oxide
CID 22943739
5,5-dimethyl-4-propyl-2H-thiophene 1,1-dioxide
CID 54283063
1-Ethylsulfonyl-4-methylcyclohexene
CID 57221588
3,4-Di(propan-2-yl)-2,5-dihydrothiophene 1,1-dioxide
CID 58593393
4,5-Ditert-butyl-2,3,6,7-tetrahydrothiepine 1,1-dioxide
CID 59711735
2,5-Diethyl-3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001463
3,4-Dibutyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001464

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide?
The IUPAC name of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide (CID 22943738) is 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide.
What is the SMILES notation for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide?
The canonical SMILES for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide is CC1=C(C)CS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide?
The InChIKey is JEIRJKICHABQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-7-5-9(3,4)12(10,11)6-8(7)2/h5-6H2,1-4H3.
What are the key properties of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide?
3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide has a molecular weight of 188.29 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 1,1-dioxide is sourced from PubChem (CID 22943738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).