2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C11H21NO2S — CID 79915157

IUPAC2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCOCC(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NO2S/c1-13-7-10(12)9-2-4-14-11(6-9)3-5-15-8-11/h9-10H,2-8,12H2,1H3
InChIKeyXQOHZAOMTWAKQM-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.26
Rot. Bonds3

About 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79915157) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79915157
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCOCC(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NO2S/c1-13-7-10(12)9-2-4-14-11(6-9)3-5-15-8-11/h9-10H,2-8,12H2,1H3
InChIKeyXQOHZAOMTWAKQM-UHFFFAOYSA-N
XLogP1.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 116718432
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
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)butan-1-amine
CID 116758405
(1-methoxy-3-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 116767455
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
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 79915157) is 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is COCC(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is XQOHZAOMTWAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-13-7-10(12)9-2-4-14-11(6-9)3-5-15-8-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79915157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).