2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol

C12H23NO2S — CID 79919525

IUPAC2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
SMILESCCN(CCO)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NO2S/c1-2-13(5-6-14)11-3-7-15-12(9-11)4-8-16-10-12/h11,14H,2-10H2,1H3
InChIKeyGFJXEXKGLCVOJX-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.36
Rot. Bonds4

About 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol

2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol (PubChem CID 79919525) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
PubChem CID79919525
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
SMILESCCN(CCO)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NO2S/c1-2-13(5-6-14)11-3-7-15-12(9-11)4-8-16-10-12/h11,14H,2-10H2,1H3
InChIKeyGFJXEXKGLCVOJX-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79902523
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
3-[2-methylpropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanethioamide
CID 79906024
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893827
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol?
The IUPAC name of 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol (CID 79919525) is 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol is CCN(CCO)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol?
The InChIKey is GFJXEXKGLCVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-13(5-6-14)11-3-7-15-12(9-11)4-8-16-10-12/h11,14H,2-10H2,1H3.
What are the key properties of 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol?
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol has a molecular weight of 245.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol is sourced from PubChem (CID 79919525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).