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

C16H26N2O2S — CID 135989077

IUPAC2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one
SMILESCOC1CCC2(CC1)S/C(=N\CC1CCCCC1)NC2=O
InChIInChI=1S/C16H26N2O2S/c1-20-13-7-9-16(10-8-13)14(19)18-15(21-16)17-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyWXIGPANRSYTVRJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.11
Rot. Bonds3

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

2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one (PubChem CID 135989077) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one
PubChem CID135989077
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one
SMILESCOC1CCC2(CC1)S/C(=N\CC1CCCCC1)NC2=O
InChIInChI=1S/C16H26N2O2S/c1-20-13-7-9-16(10-8-13)14(19)18-15(21-16)17-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyWXIGPANRSYTVRJ-UHFFFAOYSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.11
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-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 135989643
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CID 136755282
2-(cyclooctylmethyl)-7-methoxy-1-thia-3-azaspiro[4.5]dec-2-en-4-one
CID 58048223
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
8-methoxy-2-(2-methylpropylimino)-1,3-diazaspiro[4.5]decan-4-one
CID 136951383
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555
methoxycyclooctane
CID 551195
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
CID 135990436
2-[1-(3,5-dimethylcyclohexyl)ethylimino]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 136595559
6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932
formaldehyde;methoxycyclohexane
CID 142252216

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one?
The IUPAC name of 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one (CID 135989077) is 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one?
The canonical SMILES for 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one is COC1CCC2(CC1)S/C(=N\CC1CCCCC1)NC2=O.
What is the InChIKey of 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one?
The InChIKey is WXIGPANRSYTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-20-13-7-9-16(10-8-13)14(19)18-15(21-16)17-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one?
2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one has a molecular weight of 310.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylimino)-8-methoxy-1-thia-3-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 135989077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).