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

C11H12N2O4S — CID 76922979

IUPAC3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cncc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H12N2O4S/c14-11(15)4-1-8-5-10(7-12-6-8)18(16,17)13-9-2-3-9/h1,4-7,9,13H,2-3H2,(H,14,15)
InChIKeyIBMOEKYVKZMTLQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.62
Rot. Bonds5

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

3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 76922979) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID76922979
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cncc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H12N2O4S/c14-11(15)4-1-8-5-10(7-12-6-8)18(16,17)13-9-2-3-9/h1,4-7,9,13H,2-3H2,(H,14,15)
InChIKeyIBMOEKYVKZMTLQ-UHFFFAOYSA-N
XLogP0.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.62
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

3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76922893
3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76923030
(E)-3-[3-(cyclobutylsulfamoyl)phenyl]prop-2-enoic acid
CID 55066889
3-[5-(cyclopropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974848
3-[5-(1-methoxybutan-2-ylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77035798
(Z)-3-[5-(dimethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 97301543
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
3-(5-thiomorpholin-4-ylsulfonyl-3-pyridinyl)prop-2-enoic acid
CID 76922913
3-[5-(1H-imidazol-5-ylmethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77075340
3-[5-[3-(dimethylamino)propylsulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922859
(E)-3-[3-chloro-4-(cyclopropylsulfamoyl)phenyl]prop-2-enoic acid
CID 109375268
3-[5-[ethyl(methyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922838

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid (CID 76922979) is 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid is O=C(O)C=Cc1cncc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is IBMOEKYVKZMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c14-11(15)4-1-8-5-10(7-12-6-8)18(16,17)13-9-2-3-9/h1,4-7,9,13H,2-3H2,(H,14,15).
What are the key properties of 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid?
3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 268.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76922979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).