1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

C15H24ClFN2O3S — CID 120710861

IUPAC1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)c(C)c1F.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-10-14(7-6-13(21-3)15(10)16)22(19,20)18-8-4-5-12(9-18)11(2)17;/h6-7,11-12H,4-5,8-9,17H2,1-3H3;1H
InChIKeyGAGWJLYDRMTTKL-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.31
Rot. Bonds4

About 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120710861) has the molecular formula C15H24ClFN2O3S and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
PubChem CID120710861
Molecular FormulaC15H24ClFN2O3S
Molecular Weight366.89 g/mol
Exact Mass366.12
IUPAC Name1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)c(C)c1F.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-10-14(7-6-13(21-3)15(10)16)22(19,20)18-8-4-5-12(9-18)11(2)17;/h6-7,11-12H,4-5,8-9,17H2,1-3H3;1H
InChIKeyGAGWJLYDRMTTKL-UHFFFAOYSA-N
XLogP2.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 120706863
1-[1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984257
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710901
1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710896
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711647
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 120710416
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (CID 120710861) is 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is COc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)c(C)c1F.Cl.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is GAGWJLYDRMTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S.ClH/c1-10-14(7-6-13(21-3)15(10)16)22(19,20)18-8-4-5-12(9-18)11(2)17;/h6-7,11-12H,4-5,8-9,17H2,1-3H3;1H.
What are the key properties of 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120710861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).