5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile

C12H14FN3O2S — CID 63288398

IUPAC5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCC(N)CC2)ccc1F
InChIInChI=1S/C12H14FN3O2S/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,15H2
InChIKeyRABCEMJGMWMDKW-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.81
Rot. Bonds2

About 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile

5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile (PubChem CID 63288398) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
PubChem CID63288398
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCC(N)CC2)ccc1F
InChIInChI=1S/C12H14FN3O2S/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,15H2
InChIKeyRABCEMJGMWMDKW-UHFFFAOYSA-N
XLogP0.81
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-piperazin-1-ylsulfonylbenzonitrile
CID 63287823
2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667524
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-fluorobenzonitrile
CID 63262428
5-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]-2-fluorobenzonitrile
CID 120583854
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride
CID 135564480
1-(3-cyano-4-fluorophenyl)sulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990292
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63239382
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
5-(1,4-diazepan-1-ylsulfonyl)-2-fluorobenzonitrile;hydrochloride
CID 119963361
5-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 129369876
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile?
The IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile (CID 63288398) is 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile is N#Cc1cc(S(=O)(=O)N2CCC(N)CC2)ccc1F.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile?
The InChIKey is RABCEMJGMWMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,15H2.
What are the key properties of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile?
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile is sourced from PubChem (CID 63288398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).