ethyl 2-(methanesulfonamido)acetate

C5H11NO4S — CID 3505144

IUPACethyl 2-(methanesulfonamido)acetate
SMILESCCOC(=O)CNS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-10-5(7)4-6-11(2,8)9/h6H,3-4H2,1-2H3
InChIKeyMGCVGJVQIPYNKV-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.90
Rot. Bonds4

About ethyl 2-(methanesulfonamido)acetate

ethyl 2-(methanesulfonamido)acetate (PubChem CID 3505144) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is ethyl 2-(methanesulfonamido)acetate.

Molecular Properties

Compound Nameethyl 2-(methanesulfonamido)acetate
PubChem CID3505144
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Nameethyl 2-(methanesulfonamido)acetate
SMILESCCOC(=O)CNS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-10-5(7)4-6-11(2,8)9/h6H,3-4H2,1-2H3
InChIKeyMGCVGJVQIPYNKV-UHFFFAOYSA-N
XLogP-0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methanesulfonamido)acetate?
The IUPAC name of ethyl 2-(methanesulfonamido)acetate (CID 3505144) is ethyl 2-(methanesulfonamido)acetate.
What is the SMILES notation for ethyl 2-(methanesulfonamido)acetate?
The canonical SMILES for ethyl 2-(methanesulfonamido)acetate is CCOC(=O)CNS(C)(=O)=O.
What is the InChIKey of ethyl 2-(methanesulfonamido)acetate?
The InChIKey is MGCVGJVQIPYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-10-5(7)4-6-11(2,8)9/h6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(methanesulfonamido)acetate?
ethyl 2-(methanesulfonamido)acetate has a molecular weight of 181.21 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methanesulfonamido)acetate is sourced from PubChem (CID 3505144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).