[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

C13H19FN2O2S — CID 114960772

IUPAC[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccccc2F)CC1CN
InChIInChI=1S/C13H19FN2O2S/c1-10-6-7-16(9-11(10)8-15)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9,15H2,1H3
InChIKeyMYHLJWLFOTVWTB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds3

About [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960772) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
PubChem CID114960772
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccccc2F)CC1CN
InChIInChI=1S/C13H19FN2O2S/c1-10-6-7-16(9-11(10)8-15)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9,15H2,1H3
InChIKeyMYHLJWLFOTVWTB-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842
[1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)-4-methylpiperidin-3-yl]methanamine
CID 114960814
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
CID 114507138
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-4-chlorobenzonitrile
CID 114960756
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylbenzonitrile
CID 114960916

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (CID 114960772) is [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)c2ccccc2F)CC1CN.
What is the InChIKey of [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The InChIKey is MYHLJWLFOTVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-6-7-16(9-11(10)8-15)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9,15H2,1H3.
What are the key properties of [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine has a molecular weight of 286.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).