N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H16Cl2N2S — CID 62527102

IUPACN-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(NC2=NC3(CCCCC3)CS2)c1Cl
InChIInChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyCTDBOFHGGLBBLU-UHFFFAOYSA-N
MW315.27 g/mol
LogP5.21
Rot. Bonds1

About N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527102) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527102
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC NameN-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(NC2=NC3(CCCCC3)CS2)c1Cl
InChIInChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyCTDBOFHGGLBBLU-UHFFFAOYSA-N
XLogP5.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65499433
N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526066
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527626
N-(2-chloro-4-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62525170
N-[2-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527099
2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
CID 106760311
N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298642
N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62517518
N-(3-chloro-2-fluorophenyl)-8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527130
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527102) is N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Clc1cccc(NC2=NC3(CCCCC3)CS2)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is CTDBOFHGGLBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(12(10)16)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 315.27 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).