2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol

C7H17NO2S — CID 66217893

IUPAC2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol
SMILESCC(CN)SCCOCCO
InChIInChI=1S/C7H17NO2S/c1-7(6-8)11-5-4-10-3-2-9/h7,9H,2-6,8H2,1H3
InChIKeyZZOAQBCCZYAGOR-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.08
Rot. Bonds7

About 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol

2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol (PubChem CID 66217893) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol
PubChem CID66217893
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol
SMILESCC(CN)SCCOCCO
InChIInChI=1S/C7H17NO2S/c1-7(6-8)11-5-4-10-3-2-9/h7,9H,2-6,8H2,1H3
InChIKeyZZOAQBCCZYAGOR-UHFFFAOYSA-N
XLogP0.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.08
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

2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
CID 66219609
2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
CID 66219333
2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid
CID 61069579
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085
2-(2-ethoxyethylsulfanyl)propan-1-ol
CID 115659436
3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
CID 66228363
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
2-[2-(4-methoxyphenoxy)ethylsulfanyl]propan-1-amine
CID 66218381
2-[3-[3-(3-methylbutoxy)propyldisulfanyl]propoxy]ethanol
CID 177289189
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
2-(2-butylsulfanylethoxy)ethanol
CID 3743869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol (CID 66217893) is 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol is CC(CN)SCCOCCO.
What is the InChIKey of 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol?
The InChIKey is ZZOAQBCCZYAGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(6-8)11-5-4-10-3-2-9/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol?
2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol has a molecular weight of 179.28 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol is sourced from PubChem (CID 66217893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).