2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide

C19H25N3O2S — CID 3775000

IUPAC2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1
InChIInChI=1S/C19H25N3O2S/c1-18(2)8-13-16(14(23)9-18)19(6-4-3-5-7-19)12(10-20)17(22-13)25-11-15(21)24/h22H,3-9,11H2,1-2H3,(H2,21,24)
InChIKeyOTXFIOLDVNKACJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.14
Rot. Bonds3

About 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide

2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide (PubChem CID 3775000) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide
PubChem CID3775000
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1
InChIInChI=1S/C19H25N3O2S/c1-18(2)8-13-16(14(23)9-18)19(6-4-3-5-7-19)12(10-20)17(22-13)25-11-15(21)24/h22H,3-9,11H2,1-2H3,(H2,21,24)
InChIKeyOTXFIOLDVNKACJ-UHFFFAOYSA-N
XLogP3.14
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide (CID 3775000) is 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide is CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1.
What is the InChIKey of 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide?
The InChIKey is OTXFIOLDVNKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-18(2)8-13-16(14(23)9-18)19(6-4-3-5-7-19)12(10-20)17(22-13)25-11-15(21)24/h22H,3-9,11H2,1-2H3,(H2,21,24).
What are the key properties of 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide?
2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanylacetamide is sourced from PubChem (CID 3775000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).