2-(methanesulfonamido)acetate

C3H6NO4S- — CID 7005129

IUPAC2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-]
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p-1
InChIKeyLTZMAQOKPJMBRZ-UHFFFAOYSA-M
MW152.15 g/mol
LogP-2.71
Rot. Bonds3

About 2-(methanesulfonamido)acetate

2-(methanesulfonamido)acetate (PubChem CID 7005129) has the molecular formula C3H6NO4S- and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(methanesulfonamido)acetate.

Molecular Properties

Compound Name2-(methanesulfonamido)acetate
PubChem CID7005129
Molecular FormulaC3H6NO4S-
Molecular Weight152.15 g/mol
Exact Mass152.00
IUPAC Name2-(methanesulfonamido)acetate
SMILESCS(=O)(=O)NCC(=O)[O-]
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p-1
InChIKeyLTZMAQOKPJMBRZ-UHFFFAOYSA-M
XLogP-2.71
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)acetate?
The IUPAC name of 2-(methanesulfonamido)acetate (CID 7005129) is 2-(methanesulfonamido)acetate.
What is the SMILES notation for 2-(methanesulfonamido)acetate?
The canonical SMILES for 2-(methanesulfonamido)acetate is CS(=O)(=O)NCC(=O)[O-].
What is the InChIKey of 2-(methanesulfonamido)acetate?
The InChIKey is LTZMAQOKPJMBRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p-1.
What are the key properties of 2-(methanesulfonamido)acetate?
2-(methanesulfonamido)acetate has a molecular weight of 152.15 g/mol, XLogP of -2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)acetate is sourced from PubChem (CID 7005129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).