5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide

C7H12O2S — CID 13330835

IUPAC5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)CCC1
InChIInChI=1S/C7H12O2S/c1-6-4-3-5-10(8,9)7(6)2/h3-5H2,1-2H3
InChIKeyPSOKYPABZZGARN-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.49
Rot. Bonds

About 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide

5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 13330835) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID13330835
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)CCC1
InChIInChI=1S/C7H12O2S/c1-6-4-3-5-10(8,9)7(6)2/h3-5H2,1-2H3
InChIKeyPSOKYPABZZGARN-UHFFFAOYSA-N
XLogP1.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide (CID 13330835) is 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide is CC1=C(C)S(=O)(=O)CCC1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is PSOKYPABZZGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-6-4-3-5-10(8,9)7(6)2/h3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 13330835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).