6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide

C11H20O2S — CID 146652162

IUPAC6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide
SMILESCC(C)CC1CCC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C11H20O2S/c1-9(2)5-10-3-4-11(6-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3
InChIKeyYSHVVIOXEOAZEC-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.25
Rot. Bonds2

About 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide

6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide (PubChem CID 146652162) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide
PubChem CID146652162
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide
SMILESCC(C)CC1CCC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C11H20O2S/c1-9(2)5-10-3-4-11(6-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3
InChIKeyYSHVVIOXEOAZEC-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide (CID 146652162) is 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide is CC(C)CC1CCC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The InChIKey is YSHVVIOXEOAZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-9(2)5-10-3-4-11(6-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide has a molecular weight of 216.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2λ6-thiaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 146652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).