1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine

C13H19FN2O2S — CID 62535415

IUPAC1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)19(17,18)16-7-3-4-11(9-16)15-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyBCWNVJMVJWDQDV-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.51
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine

1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62535415) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62535415
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)19(17,18)16-7-3-4-11(9-16)15-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyBCWNVJMVJWDQDV-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
CID 47811921
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide
CID 95159918
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 120715329
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62535415) is 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is BCWNVJMVJWDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-5-6-12(14)13(8-10)19(17,18)16-7-3-4-11(9-16)15-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 286.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62535415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).