potassium 2-(methanesulfonamido)acetate

C3H6KNO4S — CID 20769654

IUPACpotassium 2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C3H7NO4S.K/c1-9(7,8)4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyMLSCTNKKTKHDBA-UHFFFAOYSA-M
MW191.25 g/mol
LogP-5.71
Rot. Bonds3

About potassium 2-(methanesulfonamido)acetate

potassium 2-(methanesulfonamido)acetate (PubChem CID 20769654) has the molecular formula C3H6KNO4S and a molecular weight of 191.25 g/mol. Its IUPAC name is potassium 2-(methanesulfonamido)acetate.

Molecular Properties

Compound Namepotassium 2-(methanesulfonamido)acetate
PubChem CID20769654
Molecular FormulaC3H6KNO4S
Molecular Weight191.25 g/mol
Exact Mass190.97
IUPAC Namepotassium 2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C3H7NO4S.K/c1-9(7,8)4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyMLSCTNKKTKHDBA-UHFFFAOYSA-M
XLogP-5.71
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-5.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(methanesulfonamido)acetate?
The IUPAC name of potassium 2-(methanesulfonamido)acetate (CID 20769654) is potassium 2-(methanesulfonamido)acetate.
What is the SMILES notation for potassium 2-(methanesulfonamido)acetate?
The canonical SMILES for potassium 2-(methanesulfonamido)acetate is CS(=O)(=O)NCC(=O)[O-].[K+].
What is the InChIKey of potassium 2-(methanesulfonamido)acetate?
The InChIKey is MLSCTNKKTKHDBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO4S.K/c1-9(7,8)4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 2-(methanesulfonamido)acetate?
potassium 2-(methanesulfonamido)acetate has a molecular weight of 191.25 g/mol, XLogP of -5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(methanesulfonamido)acetate is sourced from PubChem (CID 20769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).