N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine

C12H15F3N2O2S — CID 62534665

IUPACN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H15F3N2O2S/c1-16-8-3-2-6-17(7-8)20(18,19)10-5-4-9(13)11(14)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyPRGXBJYPJYAKJC-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.48
Rot. Bonds3

About N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine (PubChem CID 62534665) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
PubChem CID62534665
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H15F3N2O2S/c1-16-8-3-2-6-17(7-8)20(18,19)10-5-4-9(13)11(14)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyPRGXBJYPJYAKJC-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
ethyl N-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]carbamate
CID 47065048
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 3425446

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine (CID 62534665) is N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1.
What is the InChIKey of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine?
The InChIKey is PRGXBJYPJYAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-16-8-3-2-6-17(7-8)20(18,19)10-5-4-9(13)11(14)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine?
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine has a molecular weight of 308.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 62534665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).