2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine

C13H24F3NO2S — CID 156508692

IUPAC2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
SMILESCCCC1CC(C(F)(F)F)NC(C)C1S(=O)(=O)C(C)C
InChIInChI=1S/C13H24F3NO2S/c1-5-6-10-7-11(13(14,15)16)17-9(4)12(10)20(18,19)8(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeyXLTSRAVLGXWMOM-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine

2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine (PubChem CID 156508692) has the molecular formula C13H24F3NO2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
PubChem CID156508692
Molecular FormulaC13H24F3NO2S
Molecular Weight315.40 g/mol
Exact Mass315.15
IUPAC Name2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
SMILESCCCC1CC(C(F)(F)F)NC(C)C1S(=O)(=O)C(C)C
InChIInChI=1S/C13H24F3NO2S/c1-5-6-10-7-11(13(14,15)16)17-9(4)12(10)20(18,19)8(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeyXLTSRAVLGXWMOM-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine (CID 156508692) is 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine is CCCC1CC(C(F)(F)F)NC(C)C1S(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine?
The InChIKey is XLTSRAVLGXWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2S/c1-5-6-10-7-11(13(14,15)16)17-9(4)12(10)20(18,19)8(2)3/h8-12,17H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine?
2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine has a molecular weight of 315.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 156508692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).