2-(ethylsulfonylsulfanylmethylamino)ethanol

C5H13NO3S2 — CID 20722632

IUPAC2-(ethylsulfonylsulfanylmethylamino)ethanol
SMILESCCS(=O)(=O)SCNCCO
InChIInChI=1S/C5H13NO3S2/c1-2-11(8,9)10-5-6-3-4-7/h6-7H,2-5H2,1H3
InChIKeyJTAIKEMKTUHCJV-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.39
Rot. Bonds6

About 2-(ethylsulfonylsulfanylmethylamino)ethanol

2-(ethylsulfonylsulfanylmethylamino)ethanol (PubChem CID 20722632) has the molecular formula C5H13NO3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(ethylsulfonylsulfanylmethylamino)ethanol.

Molecular Properties

Compound Name2-(ethylsulfonylsulfanylmethylamino)ethanol
PubChem CID20722632
Molecular FormulaC5H13NO3S2
Molecular Weight199.30 g/mol
Exact Mass199.03
IUPAC Name2-(ethylsulfonylsulfanylmethylamino)ethanol
SMILESCCS(=O)(=O)SCNCCO
InChIInChI=1S/C5H13NO3S2/c1-2-11(8,9)10-5-6-3-4-7/h6-7H,2-5H2,1H3
InChIKeyJTAIKEMKTUHCJV-UHFFFAOYSA-N
XLogP-0.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-(ethylamino)ethanol
CID 170923531
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
2-(ethylamino)ethanol;hydrate
CID 174456532
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
2-(propylamino)ethanol;hydrobromide
CID 175488073
1-ethylsulfonylsulfanylpropane
CID 171772956
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylsulfanylmethylamino)ethanol?
The IUPAC name of 2-(ethylsulfonylsulfanylmethylamino)ethanol (CID 20722632) is 2-(ethylsulfonylsulfanylmethylamino)ethanol.
What is the SMILES notation for 2-(ethylsulfonylsulfanylmethylamino)ethanol?
The canonical SMILES for 2-(ethylsulfonylsulfanylmethylamino)ethanol is CCS(=O)(=O)SCNCCO.
What is the InChIKey of 2-(ethylsulfonylsulfanylmethylamino)ethanol?
The InChIKey is JTAIKEMKTUHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S2/c1-2-11(8,9)10-5-6-3-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-(ethylsulfonylsulfanylmethylamino)ethanol?
2-(ethylsulfonylsulfanylmethylamino)ethanol has a molecular weight of 199.30 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylsulfanylmethylamino)ethanol is sourced from PubChem (CID 20722632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).