1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C12H18ClFN2O2S — CID 119984029

IUPAC1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CCC1N.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-8-15(6-5-12(9)14)18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H
InChIKeyIEOZIPJSAXSDPZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984029) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984029
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CCC1N.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-8-15(6-5-12(9)14)18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H
InChIKeyIEOZIPJSAXSDPZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498866
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
3-(3,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl fluoride
CID 114791772
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984029) is 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2cccc(F)c2)CCC1N.Cl.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is IEOZIPJSAXSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-9-8-15(6-5-12(9)14)18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).