2-[ethyl(methyl)sulfamoyl]acetic acid

C5H11NO4S — CID 43263285

IUPAC2-[ethyl(methyl)sulfamoyl]acetic acid
SMILESCCN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H11NO4S/c1-3-6(2)11(9,10)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyBVWBMZVARTXSPW-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.65
Rot. Bonds4

About 2-[ethyl(methyl)sulfamoyl]acetic acid

2-[ethyl(methyl)sulfamoyl]acetic acid (PubChem CID 43263285) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[ethyl(methyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)sulfamoyl]acetic acid
PubChem CID43263285
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-[ethyl(methyl)sulfamoyl]acetic acid
SMILESCCN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H11NO4S/c1-3-6(2)11(9,10)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyBVWBMZVARTXSPW-UHFFFAOYSA-N
XLogP-0.65
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[ethyl(methyl)sulfamoyl]acetic acid (CID 43263285) is 2-[ethyl(methyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[ethyl(methyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[ethyl(methyl)sulfamoyl]acetic acid is CCN(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[ethyl(methyl)sulfamoyl]acetic acid?
The InChIKey is BVWBMZVARTXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-6(2)11(9,10)4-5(7)8/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-[ethyl(methyl)sulfamoyl]acetic acid?
2-[ethyl(methyl)sulfamoyl]acetic acid has a molecular weight of 181.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43263285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).