2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

C13H25NO2S — CID 79924056

IUPAC2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESCCNCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-14-10-12(15)11-3-6-16-13(9-11)4-7-17-8-5-13/h11-12,14-15H,2-10H2,1H3
InChIKeyCAVMRUSAJMVHHJ-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.65
Rot. Bonds4

About 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79924056) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79924056
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESCCNCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-14-10-12(15)11-3-6-16-13(9-11)4-7-17-8-5-13/h11-12,14-15H,2-10H2,1H3
InChIKeyCAVMRUSAJMVHHJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81015584
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79923585
N-ethyl-2,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105018116

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (CID 79924056) is 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is CCNCC(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is CAVMRUSAJMVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-14-10-12(15)11-3-6-16-13(9-11)4-7-17-8-5-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 259.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).