1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine

C12H23NO2S — CID 79905784

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
SMILESCC(N)CSC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H23NO2S/c1-10(13)9-16-11-2-5-15-12(8-11)3-6-14-7-4-12/h10-11H,2-9,13H2,1H3
InChIKeyLPAQENDZQVQKOX-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.79
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine

1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine (PubChem CID 79905784) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
PubChem CID79905784
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
SMILESCC(N)CSC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H23NO2S/c1-10(13)9-16-11-2-5-15-12(8-11)3-6-14-7-4-12/h10-11H,2-9,13H2,1H3
InChIKeyLPAQENDZQVQKOX-UHFFFAOYSA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
CID 79905208
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
CID 79905570
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
(2R)-2-amino-3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-methylbutanoic acid
CID 106442856
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 79905703
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine (CID 79905784) is 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine is CC(N)CSC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The InChIKey is LPAQENDZQVQKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(13)9-16-11-2-5-15-12(8-11)3-6-14-7-4-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.79, 3 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-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 79905784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).