2-(1-ethenylsulfonylazetidin-3-yl)acetamide

C7H12N2O3S — CID 154944952

IUPAC2-(1-ethenylsulfonylazetidin-3-yl)acetamide
SMILESC=CS(=O)(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C7H12N2O3S/c1-2-13(11,12)9-4-6(5-9)3-7(8)10/h2,6H,1,3-5H2,(H2,8,10)
InChIKeyMSMWMRYTTWCJJH-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.73
Rot. Bonds4

About 2-(1-ethenylsulfonylazetidin-3-yl)acetamide

2-(1-ethenylsulfonylazetidin-3-yl)acetamide (PubChem CID 154944952) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(1-ethenylsulfonylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethenylsulfonylazetidin-3-yl)acetamide
PubChem CID154944952
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name2-(1-ethenylsulfonylazetidin-3-yl)acetamide
SMILESC=CS(=O)(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C7H12N2O3S/c1-2-13(11,12)9-4-6(5-9)3-7(8)10/h2,6H,1,3-5H2,(H2,8,10)
InChIKeyMSMWMRYTTWCJJH-UHFFFAOYSA-N
XLogP-0.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylsulfonylazetidin-3-yl)acetamide?
The IUPAC name of 2-(1-ethenylsulfonylazetidin-3-yl)acetamide (CID 154944952) is 2-(1-ethenylsulfonylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(1-ethenylsulfonylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(1-ethenylsulfonylazetidin-3-yl)acetamide is C=CS(=O)(=O)N1CC(CC(N)=O)C1.
What is the InChIKey of 2-(1-ethenylsulfonylazetidin-3-yl)acetamide?
The InChIKey is MSMWMRYTTWCJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-2-13(11,12)9-4-6(5-9)3-7(8)10/h2,6H,1,3-5H2,(H2,8,10).
What are the key properties of 2-(1-ethenylsulfonylazetidin-3-yl)acetamide?
2-(1-ethenylsulfonylazetidin-3-yl)acetamide has a molecular weight of 204.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylsulfonylazetidin-3-yl)acetamide is sourced from PubChem (CID 154944952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).