2-[3-(dimethylamino)propylsulfanyl]ethanol

C7H17NOS — CID 20756420

IUPAC2-[3-(dimethylamino)propylsulfanyl]ethanol
SMILESCN(C)CCCSCCO
InChIInChI=1S/C7H17NOS/c1-8(2)4-3-6-10-7-5-9/h9H,3-7H2,1-2H3
InChIKeyARYRGECKXGBHQR-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.66
Rot. Bonds6

About 2-[3-(dimethylamino)propylsulfanyl]ethanol

2-[3-(dimethylamino)propylsulfanyl]ethanol (PubChem CID 20756420) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylsulfanyl]ethanol
PubChem CID20756420
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-[3-(dimethylamino)propylsulfanyl]ethanol
SMILESCN(C)CCCSCCO
InChIInChI=1S/C7H17NOS/c1-8(2)4-3-6-10-7-5-9/h9H,3-7H2,1-2H3
InChIKeyARYRGECKXGBHQR-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)ethanol
CID 305582
2-[2-(Diethylamino)ethylthio]ethanol
CID 5256545
2-[1-(Dimethylamino)ethylsulfanyl]ethanol
CID 18755319
(2-Hydroxy-3-propylsulfanylpropyl)-trimethylazanium
CID 22897882
1,3-Bis(2-(dimethylamino)ethylthio)-2-propanol
CID 53848499
2-[3-[Bis[2-(2-sulfanylethylsulfanyl)ethyl]amino]propylsulfanyl]ethanol
CID 58031011
2-(1-Methylazetidin-3-yl)sulfanylethanol
CID 59155102
(1-Hydroxy-2-propylsulfanylethyl)-trimethylazanium
CID 59926168
(3-Ethylsulfanyl-2-hydroxypropyl)-trimethylazanium;rutherfordium
CID 60098628
3-[2-(Diethylamino)ethylsulfanyl]propan-1-ol
CID 65668803
1-[2-(Dimethylamino)ethylsulfanyl]propan-2-ol
CID 80354079
1-(Dimethylamino)-3-propylsulfanylpropan-2-ol
CID 87174302

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylsulfanyl]ethanol?
The IUPAC name of 2-[3-(dimethylamino)propylsulfanyl]ethanol (CID 20756420) is 2-[3-(dimethylamino)propylsulfanyl]ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)propylsulfanyl]ethanol?
The canonical SMILES for 2-[3-(dimethylamino)propylsulfanyl]ethanol is CN(C)CCCSCCO.
What is the InChIKey of 2-[3-(dimethylamino)propylsulfanyl]ethanol?
The InChIKey is ARYRGECKXGBHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-8(2)4-3-6-10-7-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propylsulfanyl]ethanol?
2-[3-(dimethylamino)propylsulfanyl]ethanol has a molecular weight of 163.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylsulfanyl]ethanol is sourced from PubChem (CID 20756420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).