3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide

C14H26N2O2S — CID 79905733

IUPAC3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-17-10-8-16(7-3-13(15)19)12-4-9-18-14(11-12)5-2-6-14/h12H,2-11H2,1H3,(H2,15,19)
InChIKeyLNNCSUJWJCCMFB-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.71
Rot. Bonds7

About 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide

3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide (PubChem CID 79905733) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
PubChem CID79905733
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-17-10-8-16(7-3-13(15)19)12-4-9-18-14(11-12)5-2-6-14/h12H,2-11H2,1H3,(H2,15,19)
InChIKeyLNNCSUJWJCCMFB-UHFFFAOYSA-N
XLogP1.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905947
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
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
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
CID 79903333
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide (CID 79905733) is 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide is COCCN(CCC(N)=S)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The InChIKey is LNNCSUJWJCCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-17-10-8-16(7-3-13(15)19)12-4-9-18-14(11-12)5-2-6-14/h12H,2-11H2,1H3,(H2,15,19).
What are the key properties of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide has a molecular weight of 286.44 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide is sourced from PubChem (CID 79905733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).