3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol

C10H23NO2S — CID 106310428

IUPAC3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
SMILESCCOCCCNCCSCCCO
InChIInChI=1S/C10H23NO2S/c1-2-13-8-3-5-11-6-10-14-9-4-7-12/h11-12H,2-10H2,1H3
InChIKeyLHQLDMOGKZTMTO-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.12
Rot. Bonds11

About 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol

3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106310428) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
PubChem CID106310428
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
SMILESCCOCCCNCCSCCCO
InChIInChI=1S/C10H23NO2S/c1-2-13-8-3-5-11-6-10-14-9-4-7-12/h11-12H,2-10H2,1H3
InChIKeyLHQLDMOGKZTMTO-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63856708
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
1-(2-butoxyethoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310144
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
N-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
2-[3-(2-ethoxyethylsulfanyl)propylamino]ethylcarbamic acid
CID 19047866
6-(2-ethylsulfanylethylamino)hexan-1-ol
CID 104668755
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol (CID 106310428) is 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol is CCOCCCNCCSCCCO.
What is the InChIKey of 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is LHQLDMOGKZTMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-2-13-8-3-5-11-6-10-14-9-4-7-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol?
3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 221.37 g/mol, XLogP of 1.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106310428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).