N-ethylsulfonyl-N-methylacetamide

C5H11NO3S — CID 21345743

IUPACN-ethylsulfonyl-N-methylacetamide
SMILESCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C5H11NO3S/c1-4-10(8,9)6(3)5(2)7/h4H2,1-3H3
InChIKeyGXCIIIMBMAUMGV-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.19
Rot. Bonds2

About N-ethylsulfonyl-N-methylacetamide

N-ethylsulfonyl-N-methylacetamide (PubChem CID 21345743) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-ethylsulfonyl-N-methylacetamide.

Molecular Properties

Compound NameN-ethylsulfonyl-N-methylacetamide
PubChem CID21345743
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-ethylsulfonyl-N-methylacetamide
SMILESCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C5H11NO3S/c1-4-10(8,9)6(3)5(2)7/h4H2,1-3H3
InChIKeyGXCIIIMBMAUMGV-UHFFFAOYSA-N
XLogP-0.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-N-methylacetamide?
The IUPAC name of N-ethylsulfonyl-N-methylacetamide (CID 21345743) is N-ethylsulfonyl-N-methylacetamide.
What is the SMILES notation for N-ethylsulfonyl-N-methylacetamide?
The canonical SMILES for N-ethylsulfonyl-N-methylacetamide is CCS(=O)(=O)N(C)C(C)=O.
What is the InChIKey of N-ethylsulfonyl-N-methylacetamide?
The InChIKey is GXCIIIMBMAUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4-10(8,9)6(3)5(2)7/h4H2,1-3H3.
What are the key properties of N-ethylsulfonyl-N-methylacetamide?
N-ethylsulfonyl-N-methylacetamide has a molecular weight of 165.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-N-methylacetamide is sourced from PubChem (CID 21345743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).