N-methyl-2-methylsulfonylacetamide

C4H9NO3S — CID 58808409

IUPACN-methyl-2-methylsulfonylacetamide
SMILESCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C4H9NO3S/c1-5-4(6)3-9(2,7)8/h3H2,1-2H3,(H,5,6)
InChIKeyBRWDEYYRNRRCHQ-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.22
Rot. Bonds2

About N-methyl-2-methylsulfonylacetamide

N-methyl-2-methylsulfonylacetamide (PubChem CID 58808409) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N-methyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfonylacetamide
PubChem CID58808409
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC NameN-methyl-2-methylsulfonylacetamide
SMILESCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C4H9NO3S/c1-5-4(6)3-9(2,7)8/h3H2,1-2H3,(H,5,6)
InChIKeyBRWDEYYRNRRCHQ-UHFFFAOYSA-N
XLogP-1.22
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 ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonylacetamide?
The IUPAC name of N-methyl-2-methylsulfonylacetamide (CID 58808409) is N-methyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-methyl-2-methylsulfonylacetamide?
The canonical SMILES for N-methyl-2-methylsulfonylacetamide is CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonylacetamide?
The InChIKey is BRWDEYYRNRRCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-5-4(6)3-9(2,7)8/h3H2,1-2H3,(H,5,6).
What are the key properties of N-methyl-2-methylsulfonylacetamide?
N-methyl-2-methylsulfonylacetamide has a molecular weight of 151.19 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonylacetamide is sourced from PubChem (CID 58808409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).