2-[1-(dimethylamino)ethylsulfanyl]ethanol

C6H15NOS — CID 18755319

IUPAC2-[1-(dimethylamino)ethylsulfanyl]ethanol
SMILESCC(SCCO)N(C)C
InChIInChI=1S/C6H15NOS/c1-6(7(2)3)9-5-4-8/h6,8H,4-5H2,1-3H3
InChIKeyFBBAZMRUSYBDTQ-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.62
Rot. Bonds4

About 2-[1-(dimethylamino)ethylsulfanyl]ethanol

2-[1-(dimethylamino)ethylsulfanyl]ethanol (PubChem CID 18755319) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethylsulfanyl]ethanol
PubChem CID18755319
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-[1-(dimethylamino)ethylsulfanyl]ethanol
SMILESCC(SCCO)N(C)C
InChIInChI=1S/C6H15NOS/c1-6(7(2)3)9-5-4-8/h6,8H,4-5H2,1-3H3
InChIKeyFBBAZMRUSYBDTQ-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 220691
2-((2-(Dimethylamino)ethyl)thio)ethanol
CID 305582
2-(Dimethylaminomethylsulfanyl)ethanol
CID 225975
2-[2-(Diethylamino)ethylthio]ethanol
CID 5256545
2-(Diethylaminomethylsulfanyl)ethanol
CID 11378676
1-Thiomorpholin-4-ylethanol
CID 20569440
2-[3-(Dimethylamino)propylsulfanyl]ethanol
CID 20756420
(1-Hydroxy-2-propylsulfanylethyl)-trimethylazanium
CID 59926168
(2-Hydroxy-2-methylsulfanylethyl)-trimethylazanium
CID 87420703
2-[Ethylsulfanylmethyl(methyl)amino]ethanol
CID 89002038
1-(1,3-Thiazolidin-3-yl)ethanol
CID 89013400
4-Ethylthiomorpholin-3-ol
CID 91305359

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethylsulfanyl]ethanol?
The IUPAC name of 2-[1-(dimethylamino)ethylsulfanyl]ethanol (CID 18755319) is 2-[1-(dimethylamino)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[1-(dimethylamino)ethylsulfanyl]ethanol is CC(SCCO)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)ethylsulfanyl]ethanol?
The InChIKey is FBBAZMRUSYBDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(7(2)3)9-5-4-8/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)ethylsulfanyl]ethanol?
2-[1-(dimethylamino)ethylsulfanyl]ethanol has a molecular weight of 149.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethylsulfanyl]ethanol is sourced from PubChem (CID 18755319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).