N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C13H14Cl2N2OS — CID 106298642

IUPACN-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(Cl)c1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C13H14Cl2N2OS/c14-9-2-1-3-10(15)11(9)16-12-17-13(8-19-12)4-6-18-7-5-13/h1-3H,4-8H2,(H,16,17)
InChIKeyULERLPPEXYTTJH-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.06
Rot. Bonds1

About N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106298642) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106298642
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC NameN-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESClc1cccc(Cl)c1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C13H14Cl2N2OS/c14-9-2-1-3-10(15)11(9)16-12-17-13(8-19-12)4-6-18-7-5-13/h1-3H,4-8H2,(H,16,17)
InChIKeyULERLPPEXYTTJH-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-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65499433
N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297662
N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479
N-(2,4,6-trifluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298664
N-(2,3-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527102
N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297593
N-(2,6-dibromo-4-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297519
N-(2-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299194
N-(3-chloro-2-fluorophenyl)-8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527130
N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299128
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107601465

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106298642) is N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Clc1cccc(Cl)c1NC1=NC2(CCOCC2)CS1.
What is the InChIKey of N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is ULERLPPEXYTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c14-9-2-1-3-10(15)11(9)16-12-17-13(8-19-12)4-6-18-7-5-13/h1-3H,4-8H2,(H,16,17).
What are the key properties of N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,6-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-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106298642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).