sodium 2-(methanesulfonamido)acetate

C3H6NNaO4S — CID 42952152

IUPACsodium 2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO4S.Na/c1-9(7,8)4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyKWLQFYHCUCYLNE-UHFFFAOYSA-M
MW175.14 g/mol
LogP-5.71
Rot. Bonds3

About sodium 2-(methanesulfonamido)acetate

sodium 2-(methanesulfonamido)acetate (PubChem CID 42952152) has the molecular formula C3H6NNaO4S and a molecular weight of 175.14 g/mol. Its IUPAC name is sodium 2-(methanesulfonamido)acetate.

Molecular Properties

Compound Namesodium 2-(methanesulfonamido)acetate
PubChem CID42952152
Molecular FormulaC3H6NNaO4S
Molecular Weight175.14 g/mol
Exact Mass174.99
IUPAC Namesodium 2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO4S.Na/c1-9(7,8)4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyKWLQFYHCUCYLNE-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 ≤ 500175.14
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 sodium 2-(methanesulfonamido)acetate?
The IUPAC name of sodium 2-(methanesulfonamido)acetate (CID 42952152) is sodium 2-(methanesulfonamido)acetate.
What is the SMILES notation for sodium 2-(methanesulfonamido)acetate?
The canonical SMILES for sodium 2-(methanesulfonamido)acetate is CS(=O)(=O)NCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(methanesulfonamido)acetate?
The InChIKey is KWLQFYHCUCYLNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO4S.Na/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 sodium 2-(methanesulfonamido)acetate?
sodium 2-(methanesulfonamido)acetate has a molecular weight of 175.14 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 sodium 2-(methanesulfonamido)acetate is sourced from PubChem (CID 42952152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).