1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C13H20ClFN2O2S — CID 119959600

IUPAC1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC(N)C2)cc(C)c1F.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-6-12(7-10(2)13(9)14)19(17,18)16-5-3-4-11(15)8-16;/h6-7,11H,3-5,8,15H2,1-2H3;1H
InChIKeyWKGWTXWTXSHVLG-UHFFFAOYSA-N
MW322.83 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959600) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959600
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC(N)C2)cc(C)c1F.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-6-12(7-10(2)13(9)14)19(17,18)16-5-3-4-11(15)8-16;/h6-7,11H,3-5,8,15H2,1-2H3;1H
InChIKeyWKGWTXWTXSHVLG-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961088
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
2-[[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120727080
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959600) is 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is Cc1cc(S(=O)(=O)N2CCCC(N)C2)cc(C)c1F.Cl.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is WKGWTXWTXSHVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-9-6-12(7-10(2)13(9)14)19(17,18)16-5-3-4-11(15)8-16;/h6-7,11H,3-5,8,15H2,1-2H3;1H.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).