2-(diethylsulfamoyl)acetic acid

C6H13NO4S — CID 28773414

IUPAC2-(diethylsulfamoyl)acetic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-7(4-2)12(10,11)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyJUQFLZWEOLQRQO-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds5

About 2-(diethylsulfamoyl)acetic acid

2-(diethylsulfamoyl)acetic acid (PubChem CID 28773414) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(diethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(diethylsulfamoyl)acetic acid
PubChem CID28773414
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(diethylsulfamoyl)acetic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-7(4-2)12(10,11)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyJUQFLZWEOLQRQO-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-(N-methylethanesulfonamido)acetic acid
CID 16778503
2-(Dimethylsulfamoyl)acetic acid
CID 21533281
Sulfoacetate tetraethylammonium salt
CID 129866230
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952004
2-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 61605905
2-[2,2-Difluoroethyl(methyl)sulfamoyl]acetic acid
CID 116314353
2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670
2-[Tert-butyl(methyl)sulfamoyl]acetic acid
CID 21709122
2-[Carboxylatomethyl(ethylsulfonyl)amino]acetate
CID 23524491
2-[Carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoyl)acetic acid?
The IUPAC name of 2-(diethylsulfamoyl)acetic acid (CID 28773414) is 2-(diethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(diethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(diethylsulfamoyl)acetic acid is CCN(CC)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(diethylsulfamoyl)acetic acid?
The InChIKey is JUQFLZWEOLQRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-7(4-2)12(10,11)5-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(diethylsulfamoyl)acetic acid?
2-(diethylsulfamoyl)acetic acid has a molecular weight of 195.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoyl)acetic acid is sourced from PubChem (CID 28773414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).