1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

C13H18F2N2O2S — CID 61204741

IUPAC1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-10-3-2-6-17(9-10)20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyHLWCYPMLQQNSNZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.58
Rot. Bonds4

About 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 61204741) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID61204741
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-10-3-2-6-17(9-10)20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyHLWCYPMLQQNSNZ-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-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
3-(bromomethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 80673180
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961088
1-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263959
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961182
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 61204741) is 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is HLWCYPMLQQNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-16-8-10-3-2-6-17(9-10)20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-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-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61204741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).