5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide

C11H20O2S — CID 90075878

IUPAC5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC(C)C1=C(C(C)C)S(=O)(=O)CCC1
InChIInChI=1S/C11H20O2S/c1-8(2)10-6-5-7-14(12,13)11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyBRYKGFVSVQIQSC-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.76
Rot. Bonds2

About 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide

5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 90075878) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID90075878
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC(C)C1=C(C(C)C)S(=O)(=O)CCC1
InChIInChI=1S/C11H20O2S/c1-8(2)10-6-5-7-14(12,13)11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyBRYKGFVSVQIQSC-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide (CID 90075878) is 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide is CC(C)C1=C(C(C)C)S(=O)(=O)CCC1.
What is the InChIKey of 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is BRYKGFVSVQIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-8(2)10-6-5-7-14(12,13)11(10)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide?
5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 216.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 90075878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).