1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide

C12H20F3N3O4S — CID 175883803

IUPAC1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide
SMILESCC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H20F3N3O4S/c1-7(2)9(17-23(21,22)12(13,14)15)11(20)18-6-4-3-5-8(18)10(16)19/h7-9,17H,3-6H2,1-2H3,(H2,16,19)/t8?,9-/m0/s1
InChIKeySCQHDPNZOGUHPQ-GKAPJAKFSA-N
MW359.37 g/mol
LogP0.32
Rot. Bonds5

About 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide

1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide (PubChem CID 175883803) has the molecular formula C12H20F3N3O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide
PubChem CID175883803
Molecular FormulaC12H20F3N3O4S
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC Name1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide
SMILESCC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H20F3N3O4S/c1-7(2)9(17-23(21,22)12(13,14)15)11(20)18-6-4-3-5-8(18)10(16)19/h7-9,17H,3-6H2,1-2H3,(H2,16,19)/t8?,9-/m0/s1
InChIKeySCQHDPNZOGUHPQ-GKAPJAKFSA-N
XLogP0.32
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide 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

1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
(2S,4R)-4-tert-butyl-1-[3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxylic acid
CID 175228406
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
tert-butyl N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7031930
(2S)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 66263553
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide (CID 175883803) is 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide is CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide?
The InChIKey is SCQHDPNZOGUHPQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20F3N3O4S/c1-7(2)9(17-23(21,22)12(13,14)15)11(20)18-6-4-3-5-8(18)10(16)19/h7-9,17H,3-6H2,1-2H3,(H2,16,19)/t8?,9-/m0/s1.
What are the key properties of 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide?
1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 175883803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).