1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide

C11H14FN3O2S2 — CID 103300677

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H14FN3O2S2/c12-8-4-3-6-14-11(8)19(16,17)15-7-2-1-5-9(15)10(13)18/h3-4,6,9H,1-2,5,7H2,(H2,13,18)
InChIKeyXSTMBKMNYOPHBB-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.05
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide

1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide (PubChem CID 103300677) has the molecular formula C11H14FN3O2S2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
PubChem CID103300677
Molecular FormulaC11H14FN3O2S2
Molecular Weight303.38 g/mol
Exact Mass303.05
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H14FN3O2S2/c12-8-4-3-6-14-11(8)19(16,17)15-7-2-1-5-9(15)10(13)18/h3-4,6,9H,1-2,5,7H2,(H2,13,18)
InChIKeyXSTMBKMNYOPHBB-UHFFFAOYSA-N
XLogP1.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
CID 103308737
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622
2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
CID 103300682
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylsulfanylpiperidine-4-carbothioamide
CID 103300684
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide (CID 103300677) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide is NC(=S)C1CCCCN1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide?
The InChIKey is XSTMBKMNYOPHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2S2/c12-8-4-3-6-14-11(8)19(16,17)15-7-2-1-5-9(15)10(13)18/h3-4,6,9H,1-2,5,7H2,(H2,13,18).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide?
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide has a molecular weight of 303.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide is sourced from PubChem (CID 103300677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).