N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide

C19H26FNO3S — CID 67075469

IUPACN-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H26FNO3S/c1-17(2,3)25(22)21-14-18(15-4-6-16(20)7-5-15)8-10-19(11-9-18)23-12-13-24-19/h4-7,14H,8-13H2,1-3H3
InChIKeyHRVWWCAYFITJLC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.91
Rot. Bonds3

About N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide

N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 67075469) has the molecular formula C19H26FNO3S and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID67075469
Molecular FormulaC19H26FNO3S
Molecular Weight367.49 g/mol
Exact Mass367.16
IUPAC NameN-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H26FNO3S/c1-17(2,3)25(22)21-14-18(15-4-6-16(20)7-5-15)8-10-19(11-9-18)23-12-13-24-19/h4-7,14H,8-13H2,1-3H3
InChIKeyHRVWWCAYFITJLC-UHFFFAOYSA-N
XLogP3.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-propane-2-sulfinic acid {1-[8-(4-fluoro-phenyl)-1,4-dioxa-spiro[4.5]dec-8-yl]-allyl}-amide
CID 58380984
(NE)-N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 58381002
[8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanimine
CID 88232858
N-[1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]propylidene]-2-methylpropane-2-sulfinamide
CID 123362697
3-(1,4-Dioxaspiro[4.5]decan-8-yl)-3-(5-fluoro-2-methylphenyl)propan-1-imine
CID 132109804

Frequently Asked Questions

What is the IUPAC name of N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 67075469) is N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HRVWWCAYFITJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3S/c1-17(2,3)25(22)21-14-18(15-4-6-16(20)7-5-15)8-10-19(11-9-18)23-12-13-24-19/h4-7,14H,8-13H2,1-3H3.
What are the key properties of N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide?
N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 367.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67075469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).