1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine

C13H25NO2S — CID 79911409

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2S/c1-10(2)17-8-12(14)11-3-5-16-13(7-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyHLFCEEOPVHHMGN-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.04
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 79911409) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID79911409
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2S/c1-10(2)17-8-12(14)11-3-5-16-13(7-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyHLFCEEOPVHHMGN-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanamine
CID 79915218
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine (CID 79911409) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is HLFCEEOPVHHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10(2)17-8-12(14)11-3-5-16-13(7-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 259.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 79911409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).