2-[2-aminoethylsulfonyl(methyl)amino]acetic acid

C5H12N2O4S — CID 87843017

IUPAC2-[2-aminoethylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)CCN
InChIInChI=1S/C5H12N2O4S/c1-7(4-5(8)9)12(10,11)3-2-6/h2-4,6H2,1H3,(H,8,9)
InChIKeyHCJVZQLXAJSPEI-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.71
Rot. Bonds5

About 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid

2-[2-aminoethylsulfonyl(methyl)amino]acetic acid (PubChem CID 87843017) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethylsulfonyl(methyl)amino]acetic acid
PubChem CID87843017
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name2-[2-aminoethylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)CCN
InChIInChI=1S/C5H12N2O4S/c1-7(4-5(8)9)12(10,11)3-2-6/h2-4,6H2,1H3,(H,8,9)
InChIKeyHCJVZQLXAJSPEI-UHFFFAOYSA-N
XLogP-1.71
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid (CID 87843017) is 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)CCN.
What is the InChIKey of 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid?
The InChIKey is HCJVZQLXAJSPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-7(4-5(8)9)12(10,11)3-2-6/h2-4,6H2,1H3,(H,8,9).
What are the key properties of 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid?
2-[2-aminoethylsulfonyl(methyl)amino]acetic acid has a molecular weight of 196.23 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethylsulfonyl(methyl)amino]acetic acid is sourced from PubChem (CID 87843017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).