1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride

C14H22ClFN2O2S — CID 119965497

IUPAC1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-10-7-12(15)9-13(8-10)20(18,19)17-6-4-3-5-14(17)11(2)16;/h7-9,11,14H,3-6,16H2,1-2H3;1H
InChIKeyPFYDWIAKIRMMCT-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride

1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965497) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965497
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC Name1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-10-7-12(15)9-13(8-10)20(18,19)17-6-4-3-5-14(17)11(2)16;/h7-9,11,14H,3-6,16H2,1-2H3;1H
InChIKeyPFYDWIAKIRMMCT-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
CID 63255090
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120762959
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorobenzonitrile;hydrochloride
CID 119965338
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3,5-difluorobenzonitrile;hydrochloride
CID 167767086
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119965410
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 119965497) is 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride is Cc1cc(F)cc(S(=O)(=O)N2CCCCC2C(C)N)c1.Cl.
What is the InChIKey of 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is PFYDWIAKIRMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-10-7-12(15)9-13(8-10)20(18,19)17-6-4-3-5-14(17)11(2)16;/h7-9,11,14H,3-6,16H2,1-2H3;1H.
What are the key properties of 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).