10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C15H30N2S — CID 113474602

IUPAC10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCSCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C15H30N2S/c1-3-18-12-6-11-17-13-15(8-4-5-9-15)16-10-7-14(17)2/h14,16H,3-13H2,1-2H3
InChIKeyFHBMVUCCYQFFDK-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.13
Rot. Bonds5

About 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 113474602) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID113474602
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCSCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C15H30N2S/c1-3-18-12-6-11-17-13-15(8-4-5-9-15)16-10-7-14(17)2/h14,16H,3-13H2,1-2H3
InChIKeyFHBMVUCCYQFFDK-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

4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 113474569
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 106733398
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
CID 64869383
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
CID 106733400
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
CID 114014155
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366

Frequently Asked Questions

What is the IUPAC name of 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 113474602) is 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is CCSCCCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is FHBMVUCCYQFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-18-12-6-11-17-13-15(8-4-5-9-15)16-10-7-14(17)2/h14,16H,3-13H2,1-2H3.
What are the key properties of 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]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 10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 113474602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).