3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid

C13H16N2O4S — CID 76922893

IUPAC3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC(NS(=O)(=O)c1cncc(C=CC(=O)O)c1)C1CC1
InChIInChI=1S/C13H16N2O4S/c1-9(11-3-4-11)15-20(18,19)12-6-10(7-14-8-12)2-5-13(16)17/h2,5-9,11,15H,3-4H2,1H3,(H,16,17)
InChIKeyKKHWXVHPVIMPOT-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.26
Rot. Bonds6

About 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid

3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 76922893) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID76922893
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC(NS(=O)(=O)c1cncc(C=CC(=O)O)c1)C1CC1
InChIInChI=1S/C13H16N2O4S/c1-9(11-3-4-11)15-20(18,19)12-6-10(7-14-8-12)2-5-13(16)17/h2,5-9,11,15H,3-4H2,1H3,(H,16,17)
InChIKeyKKHWXVHPVIMPOT-UHFFFAOYSA-N
XLogP1.26
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76922979
3-[5-(1-methoxybutan-2-ylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77035798
3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76923030
(Z)-3-[5-(dimethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 97301543
3-[5-[3-(dimethylamino)propylsulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922859
3-[5-(1H-imidazol-5-ylmethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77075340
3-[5-[ethyl(methyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922838
3-[5-[methyl(pentan-3-yl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76923016
3-[3-(propan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 54971829
3-[5-(dipropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76923082
3-(5-thiomorpholin-4-ylsulfonyl-3-pyridinyl)prop-2-enoic acid
CID 76922913
6-amino-5-chloro-N-(1-cyclopropylethyl)pyridine-3-sulfonamide
CID 64609097

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid (CID 76922893) is 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid is CC(NS(=O)(=O)c1cncc(C=CC(=O)O)c1)C1CC1.
What is the InChIKey of 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is KKHWXVHPVIMPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9(11-3-4-11)15-20(18,19)12-6-10(7-14-8-12)2-5-13(16)17/h2,5-9,11,15H,3-4H2,1H3,(H,16,17).
What are the key properties of 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 296.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76922893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).