N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C13H14Cl2N2OS — CID 106297662

IUPACN-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1ccc(NC2=NC3(CCOCC3)CS2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c14-9-1-2-11(10(15)7-9)16-12-17-13(8-19-12)3-5-18-6-4-13/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyVTWPFJHLTBSEBZ-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.06
Rot. Bonds1

About N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106297662) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106297662
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC NameN-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1ccc(NC2=NC3(CCOCC3)CS2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c14-9-1-2-11(10(15)7-9)16-12-17-13(8-19-12)3-5-18-6-4-13/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyVTWPFJHLTBSEBZ-UHFFFAOYSA-N
XLogP4.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479
N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298642
N-(2-chloro-4-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62525170
N-(2-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299194
N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65499433
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299128
N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62517518
N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297593
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652
N-(5-bromo-2-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 55081376
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106297662) is N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Clc1ccc(NC2=NC3(CCOCC3)CS2)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is VTWPFJHLTBSEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c14-9-1-2-11(10(15)7-9)16-12-17-13(8-19-12)3-5-18-6-4-13/h1-2,7H,3-6,8H2,(H,16,17).
What are the key properties of N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 317.24 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106297662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).