2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine

C11H21NO2S — CID 79893870

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
SMILESNCCOC1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H21NO2S/c12-4-6-13-10-1-5-14-11(9-10)2-7-15-8-3-11/h10H,1-9,12H2
InChIKeyAHRJTRPUWXDZHA-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.41
Rot. Bonds3

About 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine (PubChem CID 79893870) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
PubChem CID79893870
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
SMILESNCCOC1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H21NO2S/c12-4-6-13-10-1-5-14-11(9-10)2-7-15-8-3-11/h10H,1-9,12H2
InChIKeyAHRJTRPUWXDZHA-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
CID 102633738
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189
[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571
[3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 107665408
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
CID 79900577
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
CID 83065900
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine (CID 79893870) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine is NCCOC1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine?
The InChIKey is AHRJTRPUWXDZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c12-4-6-13-10-1-5-14-11(9-10)2-7-15-8-3-11/h10H,1-9,12H2.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine is sourced from PubChem (CID 79893870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).