2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid

C7H14N2O5S — CID 43375033

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-8(2)6(10)4-9(3)15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyJESYKIKTFQLWSR-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.58
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid

2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid (PubChem CID 43375033) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid
PubChem CID43375033
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-8(2)6(10)4-9(3)15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyJESYKIKTFQLWSR-UHFFFAOYSA-N
XLogP-1.58
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950228
2-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310523
2-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310940
3-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
2-[(2-Amino-2-oxoethyl)-methylsulfamoyl]acetic acid
CID 43374048
2-[Methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43375017
4-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
CID 43375036
3-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid
CID 43375037
2-[Ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43578475
2-[[2-(Dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid
CID 43588555
4-[[2-(Dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid
CID 43588557
3-[[2-(Dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid (CID 43375033) is 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid is CN(C)C(=O)CN(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid?
The InChIKey is JESYKIKTFQLWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-8(2)6(10)4-9(3)15(13,14)5-7(11)12/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of -1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid is sourced from PubChem (CID 43375033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).