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

C8H16N2O5S — CID 43588555

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-4-10(5-7(11)9(2)3)16(14,15)6-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyRUYAJUKLTSUKBL-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.19
Rot. Bonds6

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

2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid (PubChem CID 43588555) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid
PubChem CID43588555
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-4-10(5-7(11)9(2)3)16(14,15)6-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyRUYAJUKLTSUKBL-UHFFFAOYSA-N
XLogP-1.19
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.19
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
3-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950230
2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458017
4-(ethylsulfonyl)-1-Piperazineacetic acid
CID 28705094
Sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethanesulfonate
CID 146467224
N,N-dimethyl-2-[methyl-[2-[methyl(propan-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 167344204
2-[2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethanesulfonic acid
CID 172704468
2-[2-[Methyl(1-sulfanylethyl)amino]ethyl-methylsulfonylamino]acetic acid
CID 174164610
2-(4-Acetylpiperazin-1-yl)sulfonylacetic acid
CID 28773690
2-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310940
2-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]acetic acid
CID 43375033
4-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
CID 43375036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid (CID 43588555) is 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid is CCN(CC(=O)N(C)C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid?
The InChIKey is RUYAJUKLTSUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-4-10(5-7(11)9(2)3)16(14,15)6-8(12)13/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]acetic acid has a molecular weight of 252.29 g/mol, XLogP of -1.19, 6 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]-ethylsulfamoyl]acetic acid is sourced from PubChem (CID 43588555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).