N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C15H20N2O2S — CID 136819457

IUPACN-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOc1ccccc1C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C15H20N2O2S/c1-18-13-5-3-2-4-12(13)10-16-14-17-15(11-20-14)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,16,17)
InChIKeyNPGXPZNFDNUREU-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.44
Rot. Bonds3

About N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819457) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819457
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOc1ccccc1C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C15H20N2O2S/c1-18-13-5-3-2-4-12(13)10-16-14-17-15(11-20-14)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,16,17)
InChIKeyNPGXPZNFDNUREU-UHFFFAOYSA-N
XLogP2.44
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[2-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819474
N-[2-(1-methylpyrazol-3-yl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730469
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine
CID 115295543
(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 136595581
N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide
CID 136819697
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
methyl 2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanoate
CID 137003252

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819457) is N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is COc1ccccc1C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is NPGXPZNFDNUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-13-5-3-2-4-12(13)10-16-14-17-15(11-20-14)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 292.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).