2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one

C14H22N2OS — CID 135461175

IUPAC2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESCC1(C)C(/N=C2/NC(=O)C3(CCCC3)S2)C1(C)C
InChIInChI=1S/C14H22N2OS/c1-12(2)9(13(12,3)4)15-11-16-10(17)14(18-11)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyCFPUUJOXOXNDQW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.95
Rot. Bonds1

About 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one

2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one (PubChem CID 135461175) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one
PubChem CID135461175
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESCC1(C)C(/N=C2/NC(=O)C3(CCCC3)S2)C1(C)C
InChIInChI=1S/C14H22N2OS/c1-12(2)9(13(12,3)4)15-11-16-10(17)14(18-11)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyCFPUUJOXOXNDQW-UHFFFAOYSA-N
XLogP2.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.95
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 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one (CID 135461175) is 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one is CC1(C)C(/N=C2/NC(=O)C3(CCCC3)S2)C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The InChIKey is CFPUUJOXOXNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12(2)9(13(12,3)4)15-11-16-10(17)14(18-11)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one?
2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one has a molecular weight of 266.41 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 135461175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).