1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C13H18F2N2O2S — CID 63248386

IUPAC1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-9-10-4-6-17(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyKGFXWPJACDXYDH-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.58
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 63248386) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID63248386
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-9-10-4-6-17(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyKGFXWPJACDXYDH-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978265
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977697
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 63248386) is 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is KGFXWPJACDXYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-16-9-10-4-6-17(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 304.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63248386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).