2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one

C14H22N2O2S — CID 135989643

IUPAC2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
SMILESO=C1N/C(=N/CC2CCCCC2)SC12CCOCC2
InChIInChI=1S/C14H22N2O2S/c17-12-14(6-8-18-9-7-14)19-13(16-12)15-10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16,17)
InChIKeyBIUPHRDSNKALAB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.33
Rot. Bonds2

About 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one

2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one (PubChem CID 135989643) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
PubChem CID135989643
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
SMILESO=C1N/C(=N/CC2CCCCC2)SC12CCOCC2
InChIInChI=1S/C14H22N2O2S/c17-12-14(6-8-18-9-7-14)19-13(16-12)15-10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16,17)
InChIKeyBIUPHRDSNKALAB-UHFFFAOYSA-N
XLogP2.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.33
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

2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one
CID 135989077
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
N-[(1-methylpiperidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819605
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
CID 135990436
6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998387
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
CID 135481730
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
6-[1-(4-chlorophenyl)cyclobutyl]imino-5-thia-7-azaspiro[3.4]octan-8-one
CID 135399955

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The IUPAC name of 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one (CID 135989643) is 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The canonical SMILES for 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one is O=C1N/C(=N/CC2CCCCC2)SC12CCOCC2.
What is the InChIKey of 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The InChIKey is BIUPHRDSNKALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-12-14(6-8-18-9-7-14)19-13(16-12)15-10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16,17).
What are the key properties of 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one has a molecular weight of 282.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 135989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).