4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C15H30N2S — CID 113474569

IUPAC4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCSCCCN1CC2(CCCCC2)NCC1C
InChIInChI=1S/C15H30N2S/c1-3-18-11-7-10-17-13-15(16-12-14(17)2)8-5-4-6-9-15/h14,16H,3-13H2,1-2H3
InChIKeyIGBQEPNVSYHKQJ-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.13
Rot. Bonds5

About 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 113474569) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID113474569
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCSCCCN1CC2(CCCCC2)NCC1C
InChIInChI=1S/C15H30N2S/c1-3-18-11-7-10-17-13-15(16-12-14(17)2)8-5-4-6-9-15/h14,16H,3-13H2,1-2H3
InChIKeyIGBQEPNVSYHKQJ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 81113962
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
8-methyl-9-(4-propan-2-yloxybutyl)-6,9-diazaspiro[4.5]decane
CID 106008757
9-(2-cyclopentylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934593
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
8-methyl-9-(2-methylpentyl)-6,9-diazaspiro[4.5]decane
CID 64875816

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 113474569) is 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCSCCCN1CC2(CCCCC2)NCC1C.
What is the InChIKey of 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is IGBQEPNVSYHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-18-11-7-10-17-13-15(16-12-14(17)2)8-5-4-6-9-15/h14,16H,3-13H2,1-2H3.
What are the key properties of 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 270.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 113474569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).