N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H16Cl2N2S — CID 65499433

IUPACN-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(Cl)c1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(16)12(10)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyVGFVWLBMPHRVRL-UHFFFAOYSA-N
MW315.27 g/mol
LogP5.21
Rot. Bonds1

About N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 65499433) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID65499433
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC NameN-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(Cl)c1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(16)12(10)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyVGFVWLBMPHRVRL-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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 65499433) is N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Clc1cccc(Cl)c1NC1=NC2(CCCCC2)CS1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is VGFVWLBMPHRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c15-10-5-4-6-11(16)12(10)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-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,6-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-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 65499433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).