N-but-3-enyl-2-ethenylsulfonylacetamide

C8H13NO3S — CID 20686496

IUPACN-but-3-enyl-2-ethenylsulfonylacetamide
SMILESC=CCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C8H13NO3S/c1-3-5-6-9-8(10)7-13(11,12)4-2/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeyMMIMIURWOAJGCR-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.24
Rot. Bonds6

About N-but-3-enyl-2-ethenylsulfonylacetamide

N-but-3-enyl-2-ethenylsulfonylacetamide (PubChem CID 20686496) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-but-3-enyl-2-ethenylsulfonylacetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-ethenylsulfonylacetamide
PubChem CID20686496
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-but-3-enyl-2-ethenylsulfonylacetamide
SMILESC=CCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C8H13NO3S/c1-3-5-6-9-8(10)7-13(11,12)4-2/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeyMMIMIURWOAJGCR-UHFFFAOYSA-N
XLogP0.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-ethenylsulfonylacetamide?
The IUPAC name of N-but-3-enyl-2-ethenylsulfonylacetamide (CID 20686496) is N-but-3-enyl-2-ethenylsulfonylacetamide.
What is the SMILES notation for N-but-3-enyl-2-ethenylsulfonylacetamide?
The canonical SMILES for N-but-3-enyl-2-ethenylsulfonylacetamide is C=CCCNC(=O)CS(=O)(=O)C=C.
What is the InChIKey of N-but-3-enyl-2-ethenylsulfonylacetamide?
The InChIKey is MMIMIURWOAJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-5-6-9-8(10)7-13(11,12)4-2/h3-4H,1-2,5-7H2,(H,9,10).
What are the key properties of N-but-3-enyl-2-ethenylsulfonylacetamide?
N-but-3-enyl-2-ethenylsulfonylacetamide has a molecular weight of 203.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-ethenylsulfonylacetamide is sourced from PubChem (CID 20686496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).