5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide

C6H10O2S — CID 13330834

IUPAC5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1=CS(=O)(=O)CCC1
InChIInChI=1S/C6H10O2S/c1-6-3-2-4-9(7,8)5-6/h5H,2-4H2,1H3
InChIKeyKGADAQFMMWFEJY-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.10
Rot. Bonds

About 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide

5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 13330834) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID13330834
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1=CS(=O)(=O)CCC1
InChIInChI=1S/C6H10O2S/c1-6-3-2-4-9(7,8)5-6/h5H,2-4H2,1H3
InChIKeyKGADAQFMMWFEJY-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Fluoro-4-methylidene-1-methylsulfonylcyclohexane
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1-Ethylsulfonyl-2-fluoro-4-methylidenecyclohexane
CID 91294477
1-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
4-Ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
CID 123988801
(Z)-1-ethylsulfonyl-2-methylhex-1-ene
CID 12431667
2,2,4-trimethyl-3H-thiophene 1,1-dioxide
CID 10942749
2-Methylidenethiane 1,1-dioxide
CID 10057630
5-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 13330832
4-Ethyl-2,3-dihydrothiophene 1,1-dioxide
CID 13929139

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide (CID 13330834) is 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide is CC1=CS(=O)(=O)CCC1.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is KGADAQFMMWFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-6-3-2-4-9(7,8)5-6/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 13330834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).