N-(1-methylazetidin-3-yl)ethanesulfonamide

C6H14N2O2S — CID 90442615

IUPACN-(1-methylazetidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C6H14N2O2S/c1-3-11(9,10)7-6-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyLRWJCPXEUWKPPT-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds3

About N-(1-methylazetidin-3-yl)ethanesulfonamide

N-(1-methylazetidin-3-yl)ethanesulfonamide (PubChem CID 90442615) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)ethanesulfonamide
PubChem CID90442615
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(1-methylazetidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C6H14N2O2S/c1-3-11(9,10)7-6-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyLRWJCPXEUWKPPT-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)ethanesulfonamide?
The IUPAC name of N-(1-methylazetidin-3-yl)ethanesulfonamide (CID 90442615) is N-(1-methylazetidin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CN(C)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)ethanesulfonamide?
The InChIKey is LRWJCPXEUWKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-3-11(9,10)7-6-4-8(2)5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(1-methylazetidin-3-yl)ethanesulfonamide?
N-(1-methylazetidin-3-yl)ethanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 90442615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).