2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid

C6H10N2O4S — CID 28774356

IUPAC2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid
SMILESCN(CCC#N)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H10N2O4S/c1-8(4-2-3-7)13(11,12)5-6(9)10/h2,4-5H2,1H3,(H,9,10)
InChIKeyRBRDCYSTSONDKV-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.75
Rot. Bonds5

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

2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid (PubChem CID 28774356) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid
PubChem CID28774356
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid
SMILESCN(CCC#N)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H10N2O4S/c1-8(4-2-3-7)13(11,12)5-6(9)10/h2,4-5H2,1H3,(H,9,10)
InChIKeyRBRDCYSTSONDKV-UHFFFAOYSA-N
XLogP-0.75
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid (CID 28774356) is 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid is CN(CCC#N)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid?
The InChIKey is RBRDCYSTSONDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-8(4-2-3-7)13(11,12)5-6(9)10/h2,4-5H2,1H3,(H,9,10).
What are the key properties of 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid?
2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid has a molecular weight of 206.22 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(methyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28774356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).