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

C12H20N2OS — CID 136819626

IUPACN-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1(C)CC1/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H20N2OS/c1-11(2)7-9(11)13-10-14-12(8-16-10)3-5-15-6-4-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyPRTGIPSDQOUEGN-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.03
Rot. Bonds1

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

N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819626) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819626
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1(C)CC1/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H20N2OS/c1-11(2)7-9(11)13-10-14-12(8-16-10)3-5-15-6-4-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyPRTGIPSDQOUEGN-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.03
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-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819626) is N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC1(C)CC1/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is PRTGIPSDQOUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-11(2)7-9(11)13-10-14-12(8-16-10)3-5-15-6-4-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 240.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).