1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine

C13H19FN2O2S — CID 114498866

IUPAC1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc(F)c2)CC1C
InChIInChI=1S/C13H19FN2O2S/c1-10-9-16(7-6-13(10)15-2)19(17,18)12-5-3-4-11(14)8-12/h3-5,8,10,13,15H,6-7,9H2,1-2H3
InChIKeyBTCGODQMPQDCKM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine

1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine (PubChem CID 114498866) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
PubChem CID114498866
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc(F)c2)CC1C
InChIInChI=1S/C13H19FN2O2S/c1-10-9-16(7-6-13(10)15-2)19(17,18)12-5-3-4-11(14)8-12/h3-5,8,10,13,15H,6-7,9H2,1-2H3
InChIKeyBTCGODQMPQDCKM-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
3-(3,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl fluoride
CID 114791772
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
CID 120999241
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
4-bromo-3-methyl-1-(3-methylphenyl)sulfonylpiperidine
CID 114683757
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine (CID 114498866) is 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2cccc(F)c2)CC1C.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine?
The InChIKey is BTCGODQMPQDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-9-16(7-6-13(10)15-2)19(17,18)12-5-3-4-11(14)8-12/h3-5,8,10,13,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine?
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine has a molecular weight of 286.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114498866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).