2-(2-ethylsulfonylethylamino)ethanol

C6H15NO3S — CID 43807737

IUPAC2-(2-ethylsulfonylethylamino)ethanol
SMILESCCS(=O)(=O)CCNCCO
InChIInChI=1S/C6H15NO3S/c1-2-11(9,10)6-4-7-3-5-8/h7-8H,2-6H2,1H3
InChIKeyMGZUDYNUKAMORO-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.00
Rot. Bonds6

About 2-(2-ethylsulfonylethylamino)ethanol

2-(2-ethylsulfonylethylamino)ethanol (PubChem CID 43807737) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)ethanol.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)ethanol
PubChem CID43807737
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name2-(2-ethylsulfonylethylamino)ethanol
SMILESCCS(=O)(=O)CCNCCO
InChIInChI=1S/C6H15NO3S/c1-2-11(9,10)6-4-7-3-5-8/h7-8H,2-6H2,1H3
InChIKeyMGZUDYNUKAMORO-UHFFFAOYSA-N
XLogP-1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.00
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-hydroxyethylamino)ethanol;propane
CID 142274456
N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754
N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
CID 106174934
2-(2-ethenylsulfonylethylamino)ethanol
CID 170994320
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
N-(2-ethylsulfonylethyl)-3-methylbut-2-en-1-amine
CID 106547093
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)ethanol?
The IUPAC name of 2-(2-ethylsulfonylethylamino)ethanol (CID 43807737) is 2-(2-ethylsulfonylethylamino)ethanol.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)ethanol?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)ethanol is CCS(=O)(=O)CCNCCO.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)ethanol?
The InChIKey is MGZUDYNUKAMORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-2-11(9,10)6-4-7-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethylamino)ethanol?
2-(2-ethylsulfonylethylamino)ethanol has a molecular weight of 181.26 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)ethanol is sourced from PubChem (CID 43807737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).