2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid

C6H12N2O5S — CID 43375017

IUPAC2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
SMILESCNC(=O)CN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)3-8(2)14(12,13)4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyNZQYCTHUKGCJNT-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.92
Rot. Bonds5

About 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid

2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid (PubChem CID 43375017) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
PubChem CID43375017
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
SMILESCNC(=O)CN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)3-8(2)14(12,13)4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyNZQYCTHUKGCJNT-UHFFFAOYSA-N
XLogP-1.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid (CID 43375017) is 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid is CNC(=O)CN(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The InChIKey is NZQYCTHUKGCJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-7-5(9)3-8(2)14(12,13)4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11).
What are the key properties of 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid has a molecular weight of 224.24 g/mol, XLogP of -1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43375017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).