N-(2-oxooxetan-3-yl)methanesulfonamide

C4H7NO4S — CID 78193464

IUPACN-(2-oxooxetan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1COC1=O
InChIInChI=1S/C4H7NO4S/c1-10(7,8)5-3-2-9-4(3)6/h3,5H,2H2,1H3
InChIKeyHONREDVMINESMG-UHFFFAOYSA-N
MW165.17 g/mol
LogP-1.54
Rot. Bonds2

About N-(2-oxooxetan-3-yl)methanesulfonamide

N-(2-oxooxetan-3-yl)methanesulfonamide (PubChem CID 78193464) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is N-(2-oxooxetan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxooxetan-3-yl)methanesulfonamide
PubChem CID78193464
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC NameN-(2-oxooxetan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1COC1=O
InChIInChI=1S/C4H7NO4S/c1-10(7,8)5-3-2-9-4(3)6/h3,5H,2H2,1H3
InChIKeyHONREDVMINESMG-UHFFFAOYSA-N
XLogP-1.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxetan-3-yl)methanesulfonamide?
The IUPAC name of N-(2-oxooxetan-3-yl)methanesulfonamide (CID 78193464) is N-(2-oxooxetan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-oxooxetan-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-oxooxetan-3-yl)methanesulfonamide is CS(=O)(=O)NC1COC1=O.
What is the InChIKey of N-(2-oxooxetan-3-yl)methanesulfonamide?
The InChIKey is HONREDVMINESMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c1-10(7,8)5-3-2-9-4(3)6/h3,5H,2H2,1H3.
What are the key properties of N-(2-oxooxetan-3-yl)methanesulfonamide?
N-(2-oxooxetan-3-yl)methanesulfonamide has a molecular weight of 165.17 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxetan-3-yl)methanesulfonamide is sourced from PubChem (CID 78193464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).