1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride

C12H18ClFN2O2S — CID 120705953

IUPAC1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCC(N)CC2)c1F.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(12(9)13)18(16,17)15-7-5-10(14)6-8-15;/h2-4,10H,5-8,14H2,1H3;1H
InChIKeyPFUZJSVGMKUEQN-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.67
Rot. Bonds2

About 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120705953) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID120705953
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCC(N)CC2)c1F.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(12(9)13)18(16,17)15-7-5-10(14)6-8-15;/h2-4,10H,5-8,14H2,1H3;1H
InChIKeyPFUZJSVGMKUEQN-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
1-[1-(2-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120709661
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959318
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 120705953) is 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride is Cc1cccc(S(=O)(=O)N2CCC(N)CC2)c1F.Cl.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is PFUZJSVGMKUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(12(9)13)18(16,17)15-7-5-10(14)6-8-15;/h2-4,10H,5-8,14H2,1H3;1H.
What are the key properties of 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120705953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).