2-(sulfomethylsulfonylamino)acetic acid

C3H7NO7S2 — CID 175277486

IUPAC2-(sulfomethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C3H7NO7S2/c5-3(6)1-4-12(7,8)2-13(9,10)11/h4H,1-2H2,(H,5,6)(H,9,10,11)
InChIKeySQOGPNWOUOFNEL-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.16
Rot. Bonds5

About 2-(sulfomethylsulfonylamino)acetic acid

2-(sulfomethylsulfonylamino)acetic acid (PubChem CID 175277486) has the molecular formula C3H7NO7S2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(sulfomethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(sulfomethylsulfonylamino)acetic acid
PubChem CID175277486
Molecular FormulaC3H7NO7S2
Molecular Weight233.22 g/mol
Exact Mass232.97
IUPAC Name2-(sulfomethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C3H7NO7S2/c5-3(6)1-4-12(7,8)2-13(9,10)11/h4H,1-2H2,(H,5,6)(H,9,10,11)
InChIKeySQOGPNWOUOFNEL-UHFFFAOYSA-N
XLogP-2.16
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid
CID 90757657
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
2-[2-(ethylamino)ethylsulfonylamino]acetic acid
CID 87616397
2-(16-sulfohexadecylamino)acetic acid
CID 22833417
2-(carboxymethylamino)acetic acid
CID 8897
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
2-(carboxyamino)acetic acid;sulfuric acid
CID 87228691
2-[4-(methanesulfonamido)butylamino]acetic acid
CID 169025259
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-(2-sulfohydrazinyl)acetic acid
CID 141291172
sulfomethylsulfonylformic acid
CID 90953311

Frequently Asked Questions

What is the IUPAC name of 2-(sulfomethylsulfonylamino)acetic acid?
The IUPAC name of 2-(sulfomethylsulfonylamino)acetic acid (CID 175277486) is 2-(sulfomethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(sulfomethylsulfonylamino)acetic acid?
The canonical SMILES for 2-(sulfomethylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of 2-(sulfomethylsulfonylamino)acetic acid?
The InChIKey is SQOGPNWOUOFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO7S2/c5-3(6)1-4-12(7,8)2-13(9,10)11/h4H,1-2H2,(H,5,6)(H,9,10,11).
What are the key properties of 2-(sulfomethylsulfonylamino)acetic acid?
2-(sulfomethylsulfonylamino)acetic acid has a molecular weight of 233.22 g/mol, XLogP of -2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfomethylsulfonylamino)acetic acid is sourced from PubChem (CID 175277486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).