N-methyl-N-(2-methylsulfonylethyl)acetamide

C6H13NO3S — CID 18728220

IUPACN-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(8)7(2)4-5-11(3,9)10/h4-5H2,1-3H3
InChIKeyGAAGEUTVAVUNQN-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.49
Rot. Bonds3

About N-methyl-N-(2-methylsulfonylethyl)acetamide

N-methyl-N-(2-methylsulfonylethyl)acetamide (PubChem CID 18728220) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)acetamide
PubChem CID18728220
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(8)7(2)4-5-11(3,9)10/h4-5H2,1-3H3
InChIKeyGAAGEUTVAVUNQN-UHFFFAOYSA-N
XLogP-0.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-2-(methylsulfinyl)ethylpropionic acid amide
CID 132101
Ethanesulfonyl chloride, 2-(dimethylamino)-2-oxo-
CID 58597643
Acetamide, N,N-dimethyl-2-(methylsulfinyl)-
CID 14529281
Unii-29V7T9agz4
CID 17907952
1-(1,1-Dioxidothiomorpholino)ethanone
CID 15939312
2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 78924935
2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 103515818
2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide
CID 130870064
(Diethylcarbamoyl)methanesulfonyl fluoride
CID 165453061
N,N-diethyl-2-ethylsulfonylacetamide
CID 101095646
4-Acetyl-1lambda~4~,4-thiazinan-1-one
CID 12600304
N-(2-methylsulfonylethyl)acetamide
CID 17990130

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)acetamide (CID 18728220) is N-methyl-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)acetamide is CC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is GAAGEUTVAVUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(8)7(2)4-5-11(3,9)10/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)acetamide?
N-methyl-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 179.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 18728220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).