2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide

C8H15N3O3S — CID 116674896

IUPAC2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
SMILESCC(C(=O)NCCS(N)(=O)=O)=C1CNC1
InChIInChI=1S/C8H15N3O3S/c1-6(7-4-10-5-7)8(12)11-2-3-15(9,13)14/h10H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyMQGUNUZLZHURTI-UHFFFAOYSA-N
MW233.29 g/mol
LogP-1.69
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide

2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide (PubChem CID 116674896) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
PubChem CID116674896
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
SMILESCC(C(=O)NCCS(N)(=O)=O)=C1CNC1
InChIInChI=1S/C8H15N3O3S/c1-6(7-4-10-5-7)8(12)11-2-3-15(9,13)14/h10H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyMQGUNUZLZHURTI-UHFFFAOYSA-N
XLogP-1.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 116677546
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-(azetidin-3-ylidene)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 116676810
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028
2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
CID 116677186
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 116677985
2-[[2-(azetidin-3-ylidene)propanoylamino]methyl]butanoic acid
CID 116678180

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide (CID 116674896) is 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide is CC(C(=O)NCCS(N)(=O)=O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is MQGUNUZLZHURTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(7-4-10-5-7)8(12)11-2-3-15(9,13)14/h10H,2-5H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 233.29 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 116674896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).