2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C15H20F3N3O3S — CID 68732713

IUPAC2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20F3N3O3S/c1-14(2,25(23,24)21-8-4-3-5-9-21)13(22)20-12-7-6-11(10-19-12)15(16,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20,22)
InChIKeyGUJOQKQPGBDGDG-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 68732713) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID68732713
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20F3N3O3S/c1-14(2,25(23,24)21-8-4-3-5-9-21)13(22)20-12-7-6-11(10-19-12)15(16,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20,22)
InChIKeyGUJOQKQPGBDGDG-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Velneperit
CID 20629114
N-[(4-Methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 139594374
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 2821933
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160
Htpu (ssre-020)
CID 139596377
N,N'-bis(5-methylpyridin-2-yl)ethanediamide
CID 2166281
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
CID 2741632
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
1-(butylsulfonyl)-N-(5-chloro-2-pyridinyl)-3-piperidinecarboxamide
CID 6472096
N-[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953864
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 68732713) is 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is GUJOQKQPGBDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-14(2,25(23,24)21-8-4-3-5-9-21)13(22)20-12-7-6-11(10-19-12)15(16,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20,22).
What are the key properties of 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 379.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 68732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).