(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate

C9H11N3O4S — CID 117058955

IUPAC(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate
SMILESC=C(C)NOC(=O)c1cccnc1S(N)(=O)=O
InChIInChI=1S/C9H11N3O4S/c1-6(2)12-16-9(13)7-4-3-5-11-8(7)17(10,14)15/h3-5,12H,1H2,2H3,(H2,10,14,15)
InChIKeyFYEIIPNOMSYZBC-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.08
Rot. Bonds4

About (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate

(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate (PubChem CID 117058955) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate.

Molecular Properties

Compound Name(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate
PubChem CID117058955
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate
SMILESC=C(C)NOC(=O)c1cccnc1S(N)(=O)=O
InChIInChI=1S/C9H11N3O4S/c1-6(2)12-16-9(13)7-4-3-5-11-8(7)17(10,14)15/h3-5,12H,1H2,2H3,(H2,10,14,15)
InChIKeyFYEIIPNOMSYZBC-UHFFFAOYSA-N
XLogP-0.08
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
CID 125425019
3-ethylpyridine-2-sulfonamide
CID 22365135
methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate
CID 67044506
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
CID 155432044
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate
CID 3336540
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740

Frequently Asked Questions

What is the IUPAC name of (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate?
The IUPAC name of (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate (CID 117058955) is (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate.
What is the SMILES notation for (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate?
The canonical SMILES for (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate is C=C(C)NOC(=O)c1cccnc1S(N)(=O)=O.
What is the InChIKey of (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate?
The InChIKey is FYEIIPNOMSYZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-6(2)12-16-9(13)7-4-3-5-11-8(7)17(10,14)15/h3-5,12H,1H2,2H3,(H2,10,14,15).
What are the key properties of (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate?
(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate has a molecular weight of 257.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate is sourced from PubChem (CID 117058955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).