4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine

C16H24N2S2 — CID 137290210

IUPAC4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\Cc1cccs1)NC2(C)C
InChIInChI=1S/C16H24N2S2/c1-12-6-8-16(9-7-12)15(2,3)18-14(20-16)17-11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyCTMZIGQAIPLWEA-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.67
Rot. Bonds2

About 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine

4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine (PubChem CID 137290210) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
PubChem CID137290210
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC Name4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\Cc1cccs1)NC2(C)C
InChIInChI=1S/C16H24N2S2/c1-12-6-8-16(9-7-12)15(2,3)18-14(20-16)17-11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyCTMZIGQAIPLWEA-UHFFFAOYSA-N
XLogP4.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.67
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 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The IUPAC name of 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine (CID 137290210) is 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine is CC1CCC2(CC1)S/C(=N\Cc1cccs1)NC2(C)C.
What is the InChIKey of 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The InChIKey is CTMZIGQAIPLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-12-6-8-16(9-7-12)15(2,3)18-14(20-16)17-11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,18).
What are the key properties of 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine has a molecular weight of 308.52 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-N-(thiophen-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137290210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).