2-[2-(methanesulfonamido)ethylamino]acetic acid

C5H12N2O4S — CID 43545974

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

About 2-[2-(methanesulfonamido)ethylamino]acetic acid

2-[2-(methanesulfonamido)ethylamino]acetic acid (PubChem CID 43545974) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]acetic acid
PubChem CID43545974
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name2-[2-(methanesulfonamido)ethylamino]acetic acid
SMILESCS(=O)(=O)NCCNCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-12(10,11)7-3-2-6-4-5(8)9/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyISXPJNNDXVNGJD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]acetic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]acetic acid (CID 43545974) is 2-[2-(methanesulfonamido)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]acetic acid is CS(=O)(=O)NCCNCC(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]acetic acid?
The InChIKey is ISXPJNNDXVNGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-12(10,11)7-3-2-6-4-5(8)9/h6-7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]acetic acid?
2-[2-(methanesulfonamido)ethylamino]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-(methanesulfonamido)ethylamino]acetic acid is sourced from PubChem (CID 43545974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).