1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H16ClN3S — CID 79504898

IUPAC1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCSCC2)N1c1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16)
InChIKeyKOUVSFMLFCFHEG-UHFFFAOYSA-N
MW281.81 g/mol
LogP2.74
Rot. Bonds1

About 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504898) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504898
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCSCC2)N1c1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16)
InChIKeyKOUVSFMLFCFHEG-UHFFFAOYSA-N
XLogP2.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine 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

5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565687
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505721
1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505349
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
1-benzyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505951
1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514719
1-(3-bromophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514337
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(2-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504751
1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521112

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504898) is 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCSCC2)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KOUVSFMLFCFHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16).
What are the key properties of 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 281.81 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).