N-ethylsulfonylacetamide

C4H9NO3S — CID 18730101

IUPACN-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKeyXVHXRGOONYQMJK-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.53
Rot. Bonds2

About N-ethylsulfonylacetamide

N-ethylsulfonylacetamide (PubChem CID 18730101) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-ethylsulfonylacetamide
PubChem CID18730101
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC NameN-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKeyXVHXRGOONYQMJK-UHFFFAOYSA-N
XLogP-0.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonylacetamide?
The IUPAC name of N-ethylsulfonylacetamide (CID 18730101) is N-ethylsulfonylacetamide.
What is the SMILES notation for N-ethylsulfonylacetamide?
The canonical SMILES for N-ethylsulfonylacetamide is CCS(=O)(=O)NC(C)=O.
What is the InChIKey of N-ethylsulfonylacetamide?
The InChIKey is XVHXRGOONYQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-3-9(7,8)5-4(2)6/h3H2,1-2H3,(H,5,6).
What are the key properties of N-ethylsulfonylacetamide?
N-ethylsulfonylacetamide has a molecular weight of 151.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonylacetamide is sourced from PubChem (CID 18730101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).