N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide

C7H14N2O3S — CID 136538492

IUPACN-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CC(C)C1
InChIInChI=1S/C7H14N2O3S/c1-6-3-9(4-6)7(10)5-13(11,12)8-2/h6,8H,3-5H2,1-2H3
InChIKeyFCPDDGXIRGEAGT-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.99
Rot. Bonds3

About N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide

N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide (PubChem CID 136538492) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide
PubChem CID136538492
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CC(C)C1
InChIInChI=1S/C7H14N2O3S/c1-6-3-9(4-6)7(10)5-13(11,12)8-2/h6,8H,3-5H2,1-2H3
InChIKeyFCPDDGXIRGEAGT-UHFFFAOYSA-N
XLogP-0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
CID 136582285
(3S,4S)-1-[2-(methylsulfamoyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950384
2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide
CID 84586007
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 136513320
1-[3-(methylamino)pyrrolidin-1-yl]-2-methylsulfonylethanone
CID 81466280
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butane-1,3-dione
CID 26026135
2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 129487234
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
1-(3-methylazetidin-1-yl)-2-(1-methylcyclopropyl)ethanone
CID 131085751
2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
CID 56582574
N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide
CID 129353054
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide?
The IUPAC name of N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide (CID 136538492) is N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide.
What is the SMILES notation for N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide?
The canonical SMILES for N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide is CNS(=O)(=O)CC(=O)N1CC(C)C1.
What is the InChIKey of N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide?
The InChIKey is FCPDDGXIRGEAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6-3-9(4-6)7(10)5-13(11,12)8-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide?
N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide is sourced from PubChem (CID 136538492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).