1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride

C14H22ClFN2O2S — CID 119978245

IUPAC1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-11-3-4-13(15)9-14(11)20(18,19)17-7-5-12(6-8-17)10-16-2;/h3-4,9,12,16H,5-8,10H2,1-2H3;1H
InChIKeyNZSUOYHIHGXJKT-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119978245) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID119978245
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC Name1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-11-3-4-13(15)9-14(11)20(18,19)17-7-5-12(6-8-17)10-16-2;/h3-4,9,12,16H,5-8,10H2,1-2H3;1H
InChIKeyNZSUOYHIHGXJKT-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978265
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977697
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 119978245) is 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1.Cl.
What is the InChIKey of 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is NZSUOYHIHGXJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-11-3-4-13(15)9-14(11)20(18,19)17-7-5-12(6-8-17)10-16-2;/h3-4,9,12,16H,5-8,10H2,1-2H3;1H.
What are the key properties of 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119978245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).