1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine

C12H16F2N2O2S — CID 119979763

IUPAC1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-15-9-5-7-16(8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-4,9,15H,5-8H2,1H3
InChIKeyJUVFIPJGNBYFOQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.34
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine

1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979763) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979763
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-15-9-5-7-16(8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-4,9,15H,5-8H2,1H3
InChIKeyJUVFIPJGNBYFOQ-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711455
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616613
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine (CID 119979763) is 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is JUVFIPJGNBYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-15-9-5-7-16(8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine?
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).