1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

C14H22F3N5O3S — CID 146091254

IUPAC1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F
InChIInChI=1S/C14H22F3N5O3S/c1-8-11(9(2)21(3)20-8)12(14(15,16)17)19-13(23)10-4-6-22(7-5-10)26(18,24)25/h10,12H,4-7H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyXAXPOGLOGHOZCQ-UHFFFAOYSA-N
MW397.42 g/mol
LogP0.67
Rot. Bonds4

About 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 146091254) has the molecular formula C14H22F3N5O3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID146091254
Molecular FormulaC14H22F3N5O3S
Molecular Weight397.42 g/mol
Exact Mass397.14
IUPAC Name1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F
InChIInChI=1S/C14H22F3N5O3S/c1-8-11(9(2)21(3)20-8)12(14(15,16)17)19-13(23)10-4-6-22(7-5-10)26(18,24)25/h10,12H,4-7H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyXAXPOGLOGHOZCQ-UHFFFAOYSA-N
XLogP0.67
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 146091254) is 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1C(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F.
What is the InChIKey of 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XAXPOGLOGHOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O3S/c1-8-11(9(2)21(3)20-8)12(14(15,16)17)19-13(23)10-4-6-22(7-5-10)26(18,24)25/h10,12H,4-7H2,1-3H3,(H,19,23)(H2,18,24,25).
What are the key properties of 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 146091254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).