2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid

C7H16N2O4S — CID 114805959

IUPAC2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCNS(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-5-8-14(12,13)9(4)7(2,3)6(10)11/h8H,5H2,1-4H3,(H,10,11)
InChIKeySIABMVIGAJKDKW-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.36
Rot. Bonds5

About 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid

2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 114805959) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID114805959
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCNS(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-5-8-14(12,13)9(4)7(2,3)6(10)11/h8H,5H2,1-4H3,(H,10,11)
InChIKeySIABMVIGAJKDKW-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114814539
2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 166239327
acetic acid;N-ethylsulfamoyl fluoride
CID 175435767
2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid
CID 65098353
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
CID 114958849
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879
1-[ethylsulfamoyl(2-hydroxyethyl)amino]-2-hydroxyethane
CID 115899468
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 79793406
2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
CID 62818377
2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 55123997
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid (CID 114805959) is 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid is CCNS(=O)(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is SIABMVIGAJKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-5-8-14(12,13)9(4)7(2,3)6(10)11/h8H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).