N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide

C17H24F3N3O3S — CID 91544696

IUPACN-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C17H24F3N3O3S/c1-2-27(25,26)22-13-4-3-5-23(10-13)17(24)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13,22H,2-6,8,10,21H2,1H3
InChIKeyVZMVTAFJLBCIMK-UHFFFAOYSA-N
MW407.46 g/mol
LogP1.29
Rot. Bonds7

About N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide

N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide (PubChem CID 91544696) has the molecular formula C17H24F3N3O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide
PubChem CID91544696
Molecular FormulaC17H24F3N3O3S
Molecular Weight407.46 g/mol
Exact Mass407.15
IUPAC NameN-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C17H24F3N3O3S/c1-2-27(25,26)22-13-4-3-5-23(10-13)17(24)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13,22H,2-6,8,10,21H2,1H3
InChIKeyVZMVTAFJLBCIMK-UHFFFAOYSA-N
XLogP1.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]propane-2-sulfonamide
CID 91289973
N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide
CID 24754171
(3R)-3-amino-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 155955430
(3R)-3-amino-1-(4-ethyl-1,4-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44571851
(3R)-3-amino-1-[(3S)-4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 24859725
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide
CID 59651803
4-[[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid;hydrochloride
CID 44571897
(3R)-3-amino-1-[(2S)-2-(1-tert-butyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 59650679
5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzene-1,3-dicarboxylic acid;hydrochloride
CID 11854302
5-[(2R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 24859861
1-[(3aS,6aS)-1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one
CID 54675002

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide (CID 91544696) is N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCCN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)C1.
What is the InChIKey of N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide?
The InChIKey is VZMVTAFJLBCIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3S/c1-2-27(25,26)22-13-4-3-5-23(10-13)17(24)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13,22H,2-6,8,10,21H2,1H3.
What are the key properties of N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide?
N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide has a molecular weight of 407.46 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 91544696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).