5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide

C8H14O2S — CID 66836757

IUPAC5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC(C)C1=CS(=O)(=O)CCC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-4-3-5-11(9,10)6-8/h6-7H,3-5H2,1-2H3
InChIKeyAXXVUZVEQAKUAD-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.73
Rot. Bonds1

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

5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 66836757) has the molecular formula C8H14O2S and a molecular weight of 174.27 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID66836757
Molecular FormulaC8H14O2S
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC(C)C1=CS(=O)(=O)CCC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-4-3-5-11(9,10)6-8/h6-7H,3-5H2,1-2H3
InChIKeyAXXVUZVEQAKUAD-UHFFFAOYSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide (CID 66836757) is 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide is CC(C)C1=CS(=O)(=O)CCC1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is AXXVUZVEQAKUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(2)8-4-3-5-11(9,10)6-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide?
5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 174.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 66836757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).