N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C13H14Cl2N2S — CID 62524652

IUPACN-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESClc1cc(Cl)cc(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C13H14Cl2N2S/c14-9-5-10(15)7-11(6-9)16-12-17-13(8-18-12)3-1-2-4-13/h5-7H,1-4,8H2,(H,16,17)
InChIKeyWFBZHBLRISTEJI-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.82
Rot. Bonds1

About N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 62524652) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID62524652
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESClc1cc(Cl)cc(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C13H14Cl2N2S/c14-9-5-10(15)7-11(6-9)16-12-17-13(8-18-12)3-1-2-4-13/h5-7H,1-4,8H2,(H,16,17)
InChIKeyWFBZHBLRISTEJI-UHFFFAOYSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 62524652) is N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is Clc1cc(Cl)cc(NC2=NC3(CCCC3)CS2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is WFBZHBLRISTEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c14-9-5-10(15)7-11(6-9)16-12-17-13(8-18-12)3-1-2-4-13/h5-7H,1-4,8H2,(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 301.24 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 62524652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).