(1-methylazetidin-3-yl)methanesulfonamide

C5H12N2O2S — CID 167468977

IUPAC(1-methylazetidin-3-yl)methanesulfonamide
SMILESCN1CC(CS(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-7-2-5(3-7)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyYRHKWCGVZBLRFT-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.16
Rot. Bonds2

About (1-methylazetidin-3-yl)methanesulfonamide

(1-methylazetidin-3-yl)methanesulfonamide (PubChem CID 167468977) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (1-methylazetidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-methylazetidin-3-yl)methanesulfonamide
PubChem CID167468977
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(1-methylazetidin-3-yl)methanesulfonamide
SMILESCN1CC(CS(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-7-2-5(3-7)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyYRHKWCGVZBLRFT-UHFFFAOYSA-N
XLogP-1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
(3-fluorocyclobutyl)methanesulfonamide
CID 126717840
(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 84762713
(1-iodopiperidin-3-yl)methanesulfonamide
CID 178012534
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 57070298
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride
CID 164656969
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907

Frequently Asked Questions

What is the IUPAC name of (1-methylazetidin-3-yl)methanesulfonamide?
The IUPAC name of (1-methylazetidin-3-yl)methanesulfonamide (CID 167468977) is (1-methylazetidin-3-yl)methanesulfonamide.
What is the SMILES notation for (1-methylazetidin-3-yl)methanesulfonamide?
The canonical SMILES for (1-methylazetidin-3-yl)methanesulfonamide is CN1CC(CS(N)(=O)=O)C1.
What is the InChIKey of (1-methylazetidin-3-yl)methanesulfonamide?
The InChIKey is YRHKWCGVZBLRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-7-2-5(3-7)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9).
What are the key properties of (1-methylazetidin-3-yl)methanesulfonamide?
(1-methylazetidin-3-yl)methanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazetidin-3-yl)methanesulfonamide is sourced from PubChem (CID 167468977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).