1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide

C10H13FN4O2S — CID 103308737

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN4O2S/c11-7-3-1-5-14-10(7)18(16,17)15-6-2-4-8(15)9(12)13/h1,3,5,8H,2,4,6H2,(H3,12,13)
InChIKeyRWKHKIMLZJUSJR-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.31
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide

1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide (PubChem CID 103308737) has the molecular formula C10H13FN4O2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
PubChem CID103308737
Molecular FormulaC10H13FN4O2S
Molecular Weight272.30 g/mol
Exact Mass272.07
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN4O2S/c11-7-3-1-5-14-10(7)18(16,17)15-6-2-4-8(15)9(12)13/h1,3,5,8H,2,4,6H2,(H3,12,13)
InChIKeyRWKHKIMLZJUSJR-UHFFFAOYSA-N
XLogP0.31
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
CID 103300677
(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
CID 96560387
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
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-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide (CID 103308737) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide is [H]/N=C(\N)C1CCCN1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide?
The InChIKey is RWKHKIMLZJUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2S/c11-7-3-1-5-14-10(7)18(16,17)15-6-2-4-8(15)9(12)13/h1,3,5,8H,2,4,6H2,(H3,12,13).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide?
1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide has a molecular weight of 272.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 103308737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).