4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide

C9H12FN3O2S2 — CID 103300665

IUPAC4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12FN3O2S2/c10-7-3-1-5-12-9(7)17(14,15)13-6-2-4-8(11)16/h1,3,5,13H,2,4,6H2,(H2,11,16)
InChIKeyRVHGGOAGYHGJHX-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.57
Rot. Bonds6

About 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide

4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide (PubChem CID 103300665) has the molecular formula C9H12FN3O2S2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide
PubChem CID103300665
Molecular FormulaC9H12FN3O2S2
Molecular Weight277.35 g/mol
Exact Mass277.04
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12FN3O2S2/c10-7-3-1-5-12-9(7)17(14,15)13-6-2-4-8(11)16/h1,3,5,13H,2,4,6H2,(H2,11,16)
InChIKeyRVHGGOAGYHGJHX-UHFFFAOYSA-N
XLogP0.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
2-[(3-fluoro-2-pyridinyl)sulfonylamino]oxyacetamide
CID 103298965
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide (CID 103300665) is 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide is NC(=S)CCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide?
The InChIKey is RVHGGOAGYHGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S2/c10-7-3-1-5-12-9(7)17(14,15)13-6-2-4-8(11)16/h1,3,5,13H,2,4,6H2,(H2,11,16).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide?
4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide has a molecular weight of 277.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide is sourced from PubChem (CID 103300665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).