(3-methylazetidin-1-yl)methanesulfonamide

C5H12N2O2S — CID 175622987

IUPAC(3-methylazetidin-1-yl)methanesulfonamide
SMILESCC1CN(CS(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5-2-7(3-5)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyGAXGMFLFZJIVRU-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.82
Rot. Bonds2

About (3-methylazetidin-1-yl)methanesulfonamide

(3-methylazetidin-1-yl)methanesulfonamide (PubChem CID 175622987) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)methanesulfonamide.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)methanesulfonamide
PubChem CID175622987
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(3-methylazetidin-1-yl)methanesulfonamide
SMILESCC1CN(CS(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5-2-7(3-5)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyGAXGMFLFZJIVRU-UHFFFAOYSA-N
XLogP-0.82
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 ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)methanesulfonamide?
The IUPAC name of (3-methylazetidin-1-yl)methanesulfonamide (CID 175622987) is (3-methylazetidin-1-yl)methanesulfonamide.
What is the SMILES notation for (3-methylazetidin-1-yl)methanesulfonamide?
The canonical SMILES for (3-methylazetidin-1-yl)methanesulfonamide is CC1CN(CS(N)(=O)=O)C1.
What is the InChIKey of (3-methylazetidin-1-yl)methanesulfonamide?
The InChIKey is GAXGMFLFZJIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5-2-7(3-5)4-10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9).
What are the key properties of (3-methylazetidin-1-yl)methanesulfonamide?
(3-methylazetidin-1-yl)methanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)methanesulfonamide is sourced from PubChem (CID 175622987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).