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

C13H17F3N2O2S — CID 115304763

IUPACN,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H17F3N2O2S/c1-13(17-2)5-7-18(8-6-13)21(19,20)10-4-3-9(14)11(15)12(10)16/h3-4,17H,5-8H2,1-2H3
InChIKeyCSPKXEVRGCHPHO-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.87
Rot. Bonds3

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

N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 115304763) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
PubChem CID115304763
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H17F3N2O2S/c1-13(17-2)5-7-18(8-6-13)21(19,20)10-4-3-9(14)11(15)12(10)16/h3-4,17H,5-8H2,1-2H3
InChIKeyCSPKXEVRGCHPHO-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 107343719
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylazepan-4-ol
CID 107403521
ethyl 4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947786
[(1R,2R)-2-methylcyclopropyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370192
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (CID 115304763) is N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is CSPKXEVRGCHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-13(17-2)5-7-18(8-6-13)21(19,20)10-4-3-9(14)11(15)12(10)16/h3-4,17H,5-8H2,1-2H3.
What are the key properties of N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 322.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 115304763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).