2-[2-(methylamino)ethylsulfonylamino]acetic acid

C5H12N2O4S — CID 87616706

IUPAC2-[2-(methylamino)ethylsulfonylamino]acetic acid
SMILESCNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-6-2-3-12(10,11)7-4-5(8)9/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyMQPDMVFGPVAPBO-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.79
Rot. Bonds6

About 2-[2-(methylamino)ethylsulfonylamino]acetic acid

2-[2-(methylamino)ethylsulfonylamino]acetic acid (PubChem CID 87616706) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-[2-(methylamino)ethylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(methylamino)ethylsulfonylamino]acetic acid
PubChem CID87616706
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name2-[2-(methylamino)ethylsulfonylamino]acetic acid
SMILESCNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-6-2-3-12(10,11)7-4-5(8)9/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyMQPDMVFGPVAPBO-UHFFFAOYSA-N
XLogP-1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethylsulfonylamino]acetic acid?
The IUPAC name of 2-[2-(methylamino)ethylsulfonylamino]acetic acid (CID 87616706) is 2-[2-(methylamino)ethylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[2-(methylamino)ethylsulfonylamino]acetic acid?
The canonical SMILES for 2-[2-(methylamino)ethylsulfonylamino]acetic acid is CNCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(methylamino)ethylsulfonylamino]acetic acid?
The InChIKey is MQPDMVFGPVAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-6-2-3-12(10,11)7-4-5(8)9/h6-7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-[2-(methylamino)ethylsulfonylamino]acetic acid?
2-[2-(methylamino)ethylsulfonylamino]acetic acid has a molecular weight of 196.23 g/mol, XLogP of -1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethylsulfonylamino]acetic acid is sourced from PubChem (CID 87616706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).