1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine

C13H25NO2S — CID 105170685

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H25NO2S/c1-10(2)15-8-12(14)11-3-5-16-13(7-11)4-6-17-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyGAQFAJMFSZEZSG-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.04
Rot. Bonds4

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine (PubChem CID 105170685) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
PubChem CID105170685
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H25NO2S/c1-10(2)15-8-12(14)11-3-5-16-13(7-11)4-6-17-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyGAQFAJMFSZEZSG-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

2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 116718432
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116758405
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79914473
(2-methyloxolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017875
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine (CID 105170685) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The InChIKey is GAQFAJMFSZEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10(2)15-8-12(14)11-3-5-16-13(7-11)4-6-17-9-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine 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-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105170685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).