4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide

C7H14N2O3S — CID 86742149

IUPAC4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide
SMILESCCNS(=O)(=O)CC(=O)C=C(C)N
InChIInChI=1S/C7H14N2O3S/c1-3-9-13(11,12)5-7(10)4-6(2)8/h4,9H,3,5,8H2,1-2H3
InChIKeyBFAFOONEQLRGIG-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.64
Rot. Bonds5

About 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide

4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide (PubChem CID 86742149) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide
PubChem CID86742149
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide
SMILESCCNS(=O)(=O)CC(=O)C=C(C)N
InChIInChI=1S/C7H14N2O3S/c1-3-9-13(11,12)5-7(10)4-6(2)8/h4,9H,3,5,8H2,1-2H3
InChIKeyBFAFOONEQLRGIG-UHFFFAOYSA-N
XLogP-0.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2,6-diaminohepta-2,5-dien-4-one
CID 74377910
4-amino-1-cyclopropylpent-3-en-2-one
CID 130732609
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
acetic acid;N-ethylsulfamoyl fluoride
CID 175435767
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677
ethylsulfamic acid;methane
CID 161279958
2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332
N-ethylpent-3-ene-1-sulfonamide
CID 174075498
2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
CID 114175472

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide?
The IUPAC name of 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide (CID 86742149) is 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide?
The canonical SMILES for 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide is CCNS(=O)(=O)CC(=O)C=C(C)N.
What is the InChIKey of 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide?
The InChIKey is BFAFOONEQLRGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-9-13(11,12)5-7(10)4-6(2)8/h4,9H,3,5,8H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide?
4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-oxopent-3-ene-1-sulfonamide is sourced from PubChem (CID 86742149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).