N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine

C13H17F3N2O2S — CID 63249919

IUPACN-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O2S/c1-17-8-10-4-2-3-5-18(10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3
InChIKeyQAKGBIOLFXEGRT-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine

N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 63249919) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID63249919
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O2S/c1-17-8-10-4-2-3-5-18(10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3
InChIKeyQAKGBIOLFXEGRT-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
2-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372459
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
1-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316506
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991049

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine (CID 63249919) is N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine is CNCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is QAKGBIOLFXEGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-17-8-10-4-2-3-5-18(10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3.
What are the key properties of N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine?
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 322.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 63249919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).