7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C14H26N2S2 — CID 137011014

IUPAC7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCSC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C14H26N2S2/c1-11-6-5-7-14(8-11)10-18-12(16-14)15-9-13(2,3)17-4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyYGKIDIQNHDZPCT-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.77
Rot. Bonds3

About 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine

7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 137011014) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID137011014
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCSC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C14H26N2S2/c1-11-6-5-7-14(8-11)10-18-12(16-14)15-9-13(2,3)17-4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyYGKIDIQNHDZPCT-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.77
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 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 137011014) is 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine is CSC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1.
What is the InChIKey of 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is YGKIDIQNHDZPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-11-6-5-7-14(8-11)10-18-12(16-14)15-9-13(2,3)17-4/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 286.51 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137011014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).