3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol

C15H29NO2S — CID 103921301

IUPAC3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCCOC1CC(NCCSCCCO)C12CCCC2
InChIInChI=1S/C15H29NO2S/c1-2-18-14-12-13(15(14)6-3-4-7-15)16-8-11-19-10-5-9-17/h13-14,16-17H,2-12H2,1H3
InChIKeyANKPLJWBAPHANI-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.43
Rot. Bonds9

About 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 103921301) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID103921301
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCCOC1CC(NCCSCCCO)C12CCCC2
InChIInChI=1S/C15H29NO2S/c1-2-18-14-12-13(15(14)6-3-4-7-15)16-8-11-19-10-5-9-17/h13-14,16-17H,2-12H2,1H3
InChIKeyANKPLJWBAPHANI-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol with MolForge

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Related Compounds

6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
CID 103921801
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol (CID 103921301) is 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol is CCOC1CC(NCCSCCCO)C12CCCC2.
What is the InChIKey of 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is ANKPLJWBAPHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-18-14-12-13(15(14)6-3-4-7-15)16-8-11-19-10-5-9-17/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 287.47 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103921301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).