2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol

C8H19NO2S — CID 64612517

IUPAC2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
SMILESCOCCNCCCSCCO
InChIInChI=1S/C8H19NO2S/c1-11-6-4-9-3-2-7-12-8-5-10/h9-10H,2-8H2,1H3
InChIKeyCCBIYDAIWKKOKW-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.34
Rot. Bonds9

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

2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol (PubChem CID 64612517) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
PubChem CID64612517
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
SMILESCOCCNCCCSCCO
InChIInChI=1S/C8H19NO2S/c1-11-6-4-9-3-2-7-12-8-5-10/h9-10H,2-8H2,1H3
InChIKeyCCBIYDAIWKKOKW-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.34
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

N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N,N-diethyl-2-[3-(2-methoxyethylamino)propylsulfanyl]acetamide
CID 114235060
tert-butyl 2-[3-(2-methoxyethylamino)propylsulfanyl]acetate
CID 116688029
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62576720
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107757462
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63856708
3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol?
The IUPAC name of 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol (CID 64612517) is 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol.
What is the SMILES notation for 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol?
The canonical SMILES for 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol is COCCNCCCSCCO.
What is the InChIKey of 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol?
The InChIKey is CCBIYDAIWKKOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-11-6-4-9-3-2-7-12-8-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol?
2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol has a molecular weight of 193.31 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol is sourced from PubChem (CID 64612517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).