7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide

C11H20O2S — CID 137390183

IUPAC7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
SMILESCC(C)C1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C11H20O2S/c1-9(2)10-3-5-11(6-4-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3
InChIKeyAQAZCYXBTCDTOC-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.25
Rot. Bonds1

About 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide

7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide (PubChem CID 137390183) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
PubChem CID137390183
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
SMILESCC(C)C1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C11H20O2S/c1-9(2)10-3-5-11(6-4-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3
InChIKeyAQAZCYXBTCDTOC-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide (CID 137390183) is 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide is CC(C)C1CCC2(CC1)CS(=O)(=O)C2.
What is the InChIKey of 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is AQAZCYXBTCDTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-9(2)10-3-5-11(6-4-10)7-14(12,13)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide?
7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 216.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 137390183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).