3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol

C15H34N2O6S — CID 138402180

IUPAC3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCCCC(CC)CNS(=O)(=O)CCC(=O)O.OCCNCCO
InChIInChI=1S/C11H23NO4S.C4H11NO2/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14;6-3-1-5-2-4-7/h10,12H,3-9H2,1-2H3,(H,13,14);5-7H,1-4H2
InChIKeyWTAZBXQKVAEZHC-UHFFFAOYSA-N
MW370.51 g/mol
LogP0.16
Rot. Bonds14

About 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol

3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 138402180) has the molecular formula C15H34N2O6S and a molecular weight of 370.51 g/mol. Its IUPAC name is 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID138402180
Molecular FormulaC15H34N2O6S
Molecular Weight370.51 g/mol
Exact Mass370.21
IUPAC Name3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCCCC(CC)CNS(=O)(=O)CCC(=O)O.OCCNCCO
InChIInChI=1S/C11H23NO4S.C4H11NO2/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14;6-3-1-5-2-4-7/h10,12H,3-9H2,1-2H3,(H,13,14);5-7H,1-4H2
InChIKeyWTAZBXQKVAEZHC-UHFFFAOYSA-N
XLogP0.16
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 50.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
CID 145277328
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
(4S)-4-(2-ethylhexylamino)-5-oxopentanoic acid
CID 90948928
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
(2S)-2-(2-ethylhexylamino)pentanedioic acid
CID 87572097

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol (CID 138402180) is 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol is CCCCC(CC)CNS(=O)(=O)CCC(=O)O.OCCNCCO.
What is the InChIKey of 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is WTAZBXQKVAEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S.C4H11NO2/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14;6-3-1-5-2-4-7/h10,12H,3-9H2,1-2H3,(H,13,14);5-7H,1-4H2.
What are the key properties of 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol?
3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 370.51 g/mol, XLogP of 0.16, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 138402180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).