1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine

C13H25NO2S — CID 79915523

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-14-12(10-17-2)11-3-6-16-13(9-11)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWAHOALPCRCAPPJ-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.91
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 79915523) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
PubChem CID79915523
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-14-12(10-17-2)11-3-6-16-13(9-11)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWAHOALPCRCAPPJ-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79907265
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215832
2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 105012128
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
2-butan-2-ylsulfanyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethylethanamine
CID 79910253
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine (CID 79915523) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is WAHOALPCRCAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-14-12(10-17-2)11-3-6-16-13(9-11)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 259.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 79915523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).