3-(azetidin-3-yl)-N-methylsulfonylpropanamide

C7H14N2O3S — CID 138689703

IUPAC3-(azetidin-3-yl)-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCC1CNC1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-7(10)3-2-6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyPVSJAQNPGGKXRL-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.94
Rot. Bonds4

About 3-(azetidin-3-yl)-N-methylsulfonylpropanamide

3-(azetidin-3-yl)-N-methylsulfonylpropanamide (PubChem CID 138689703) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-(azetidin-3-yl)-N-methylsulfonylpropanamide
PubChem CID138689703
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-(azetidin-3-yl)-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCC1CNC1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-7(10)3-2-6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyPVSJAQNPGGKXRL-UHFFFAOYSA-N
XLogP-0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-N-methylsulfonylpropanamide?
The IUPAC name of 3-(azetidin-3-yl)-N-methylsulfonylpropanamide (CID 138689703) is 3-(azetidin-3-yl)-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-(azetidin-3-yl)-N-methylsulfonylpropanamide?
The canonical SMILES for 3-(azetidin-3-yl)-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCC1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-N-methylsulfonylpropanamide?
The InChIKey is PVSJAQNPGGKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)9-7(10)3-2-6-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(azetidin-3-yl)-N-methylsulfonylpropanamide?
3-(azetidin-3-yl)-N-methylsulfonylpropanamide has a molecular weight of 206.27 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 138689703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).