3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

C15H16Cl2N2S — CID 22428743

IUPAC3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
SMILESS=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2S/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyQXYIVCXUHONMQL-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.76
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione (PubChem CID 22428743) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
PubChem CID22428743
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
SMILESS=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2S/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyQXYIVCXUHONMQL-UHFFFAOYSA-N
XLogP4.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione 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

tert-butyl 3-(3,4-dichlorophenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 139434847
3-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 22428752
3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione;hydrochloride
CID 171323345
3-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428749
3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione;hydrochloride
CID 171323348
[2-(3,4-dichlorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.6]undec-1-en-4-yl]-(4-fluorophenyl)methanone
CID 22428913
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659
2-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477135
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
3-(4-chlorophenyl)-8-oxa-1,4-diazaspiro[4.5]dec-3-en-2-one;ethane
CID 143728929
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
4-(3,4-dichlorophenyl)-2H-phthalazine-1-thione
CID 106516345

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione (CID 22428743) is 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione is S=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The InChIKey is QXYIVCXUHONMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c16-11-6-5-10(9-12(11)17)13-14(20)19-15(18-13)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione has a molecular weight of 327.28 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione is sourced from PubChem (CID 22428743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).