3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid

C10H11N3O5S — CID 76923030

IUPAC3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESNC(=O)CNS(=O)(=O)c1cncc(C=CC(=O)O)c1
InChIInChI=1S/C10H11N3O5S/c11-9(14)6-13-19(17,18)8-3-7(4-12-5-8)1-2-10(15)16/h1-5,13H,6H2,(H2,11,14)(H,15,16)
InChIKeyZZTJDEQQRVDFKJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP-1.06
Rot. Bonds6

About 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid

3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid (PubChem CID 76923030) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
PubChem CID76923030
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESNC(=O)CNS(=O)(=O)c1cncc(C=CC(=O)O)c1
InChIInChI=1S/C10H11N3O5S/c11-9(14)6-13-19(17,18)8-3-7(4-12-5-8)1-2-10(15)16/h1-5,13H,6H2,(H2,11,14)(H,15,16)
InChIKeyZZTJDEQQRVDFKJ-UHFFFAOYSA-N
XLogP-1.06
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76922979
3-[4-[(2-amino-2-oxoethyl)sulfamoyl]-3,5-dichlorophenyl]prop-2-enoic acid
CID 76906866
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-[(2-amino-2-oxoethyl)sulfamoyl]-3-chlorophenyl]prop-2-enoic acid
CID 76906865
3-[5-(1-cyclopropylethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76922893
3-[5-[ethyl(methyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922838
3-[5-(dipropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76923082
3-[5-[6-[(2-amino-2-oxoethyl)amino]pyrazin-2-yl]-3-pyridinyl]prop-2-enoic acid
CID 67320090
3-[3-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907979

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid (CID 76923030) is 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid is NC(=O)CNS(=O)(=O)c1cncc(C=CC(=O)O)c1.
What is the InChIKey of 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is ZZTJDEQQRVDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c11-9(14)6-13-19(17,18)8-3-7(4-12-5-8)1-2-10(15)16/h1-5,13H,6H2,(H2,11,14)(H,15,16).
What are the key properties of 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid?
3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 285.28 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-amino-2-oxoethyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76923030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).