1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine

C8H10FN3O2S — CID 63764885

IUPAC1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C8H10FN3O2S/c9-6-1-8(3-11-2-6)15(13,14)12-4-7(10)5-12/h1-3,7H,4-5,10H2
InChIKeyFKOSHXWORPPCLQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.45
Rot. Bonds2

About 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine

1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine (PubChem CID 63764885) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
PubChem CID63764885
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Name1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C8H10FN3O2S/c9-6-1-8(3-11-2-6)15(13,14)12-4-7(10)5-12/h1-3,7H,4-5,10H2
InChIKeyFKOSHXWORPPCLQ-UHFFFAOYSA-N
XLogP-0.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673
6-[(5-fluoro-3-pyridinyl)sulfonyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680929
1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 95381894
1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
CID 63844852
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
CID 63876850
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-1-yl]propanethioamide
CID 63342076
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776
1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
CID 103576433
N-(2-aminocyclopentyl)-5-fluoropyridine-3-sulfonamide
CID 63252311
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine (CID 63764885) is 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine is NC1CN(S(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine?
The InChIKey is FKOSHXWORPPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c9-6-1-8(3-11-2-6)15(13,14)12-4-7(10)5-12/h1-3,7H,4-5,10H2.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine?
1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine has a molecular weight of 231.25 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine is sourced from PubChem (CID 63764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).