3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid

C8H18N2O4S — CID 62641953

IUPAC3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
SMILESCCN(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-10(2)6-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyNLALDWMWPRHBDE-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.67
Rot. Bonds8

About 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid

3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid (PubChem CID 62641953) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
PubChem CID62641953
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
SMILESCCN(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-10(2)6-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyNLALDWMWPRHBDE-UHFFFAOYSA-N
XLogP-0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79579543
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
3-(dimethylaminosulfamoyl)propanoic acid
CID 83003807
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
3-(pent-3-ynylsulfamoyl)propanoic acid
CID 116642734
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]propanoic acid
CID 114518059
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
7-(butylsulfonylamino)heptanoic acid
CID 24704780

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid (CID 62641953) is 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid is CCN(C)CCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid?
The InChIKey is NLALDWMWPRHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-10(2)6-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid?
3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 62641953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).