N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C15H19ClN2OS — CID 136819571

IUPACN-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(/N=C1/NC2(CCOCC2)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2OS/c1-11(12-2-4-13(16)5-3-12)17-14-18-15(10-20-14)6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyVUSVJSNRKVBRPT-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.64
Rot. Bonds2

About N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819571) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819571
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(/N=C1/NC2(CCOCC2)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2OS/c1-11(12-2-4-13(16)5-3-12)17-14-18-15(10-20-14)6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyVUSVJSNRKVBRPT-UHFFFAOYSA-N
XLogP3.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819437
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
methyl 2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanoate
CID 137003252
N-[2-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819474
N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819558
N-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
CID 135857052
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
CID 136730454

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819571) is N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC(/N=C1/NC2(CCOCC2)CS1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is VUSVJSNRKVBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-11(12-2-4-13(16)5-3-12)17-14-18-15(10-20-14)6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 310.85 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).