8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane

C16H20O3S — CID 134978421

IUPAC8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane
SMILESCC(=C1CCC2(CC1)OCCO2)S(=O)c1ccccc1
InChIInChI=1S/C16H20O3S/c1-13(20(17)15-5-3-2-4-6-15)14-7-9-16(10-8-14)18-11-12-19-16/h2-6H,7-12H2,1H3
InChIKeyNZIMVSSHXZIDKC-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.39
Rot. Bonds2

About 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane

8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane (PubChem CID 134978421) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane
PubChem CID134978421
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane
SMILESCC(=C1CCC2(CC1)OCCO2)S(=O)c1ccccc1
InChIInChI=1S/C16H20O3S/c1-13(20(17)15-5-3-2-4-6-15)14-7-9-16(10-8-14)18-11-12-19-16/h2-6H,7-12H2,1H3
InChIKeyNZIMVSSHXZIDKC-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
8-(2-Phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 86208240
3-Methyl-3-(phenylsulfanylmethyl)-1,2,5-trioxaspiro[5.5]undecane
CID 11702072
8-[Chloro-(4-methylphenyl)sulfinylmethylidene]-1,4-dioxaspiro[4.5]decane
CID 11131224
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
8-[1-(Benzenesulfinyl)-2-bromoethylidene]-1,4-dioxaspiro[4.5]decane
CID 12139975
1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
CID 12222743
8-(Benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213581
8-(Benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13213582
2-[10-Methoxy-10-(phenylsulfanyl)decyl]-2-methyl-1,3-dioxolane
CID 13215969
1,4-Dioxaspiro[4.5]dec-8-YL phenyl sulfide
CID 14469714
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645

Frequently Asked Questions

What is the IUPAC name of 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane (CID 134978421) is 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane is CC(=C1CCC2(CC1)OCCO2)S(=O)c1ccccc1.
What is the InChIKey of 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NZIMVSSHXZIDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-13(20(17)15-5-3-2-4-6-15)14-7-9-16(10-8-14)18-11-12-19-16/h2-6H,7-12H2,1H3.
What are the key properties of 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane?
8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane has a molecular weight of 292.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(benzenesulfinyl)ethylidene]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 134978421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).