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

C14H24N2OS — CID 136819501

IUPACN-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC(/N=C2/NC3(CCOCC3)CS2)C1
InChIInChI=1S/C14H24N2OS/c1-11-3-2-4-12(9-11)15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyVGIHSEMSCNUATP-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.81
Rot. Bonds1

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

N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819501) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819501
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC(/N=C2/NC3(CCOCC3)CS2)C1
InChIInChI=1S/C14H24N2OS/c1-11-3-2-4-12(9-11)15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyVGIHSEMSCNUATP-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819501) is N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC(/N=C2/NC3(CCOCC3)CS2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is VGIHSEMSCNUATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-3-2-4-12(9-11)15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 268.43 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).