2-[3-(2-propylsulfonylethylamino)propoxy]ethanol

C10H23NO4S — CID 106309894

IUPAC2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
SMILESCCCS(=O)(=O)CCNCCCOCCO
InChIInChI=1S/C10H23NO4S/c1-2-9-16(13,14)10-5-11-4-3-7-15-8-6-12/h11-12H,2-10H2,1H3
InChIKeyUWPLTLLMDFLLMZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP-0.20
Rot. Bonds11

About 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol

2-[3-(2-propylsulfonylethylamino)propoxy]ethanol (PubChem CID 106309894) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
PubChem CID106309894
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
SMILESCCCS(=O)(=O)CCNCCCOCCO
InChIInChI=1S/C10H23NO4S/c1-2-9-16(13,14)10-5-11-4-3-7-15-8-6-12/h11-12H,2-10H2,1H3
InChIKeyUWPLTLLMDFLLMZ-UHFFFAOYSA-N
XLogP-0.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106723752
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
CID 106310342
2-[2-(butylamino)ethylsulfonyl]ethyl hydrogen sulfate
CID 88680588
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
CID 170851878
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol (CID 106309894) is 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol is CCCS(=O)(=O)CCNCCCOCCO.
What is the InChIKey of 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol?
The InChIKey is UWPLTLLMDFLLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-2-9-16(13,14)10-5-11-4-3-7-15-8-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol?
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol has a molecular weight of 253.36 g/mol, XLogP of -0.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propylsulfonylethylamino)propoxy]ethanol is sourced from PubChem (CID 106309894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).