1-pentylsulfonyl-4-(trifluoromethyl)piperidine

C11H20F3NO2S — CID 75522287

IUPAC1-pentylsulfonyl-4-(trifluoromethyl)piperidine
SMILESCCCCCS(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-2-3-4-9-18(16,17)15-7-5-10(6-8-15)11(12,13)14/h10H,2-9H2,1H3
InChIKeyUAWZGIHJEIDYTE-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.78
Rot. Bonds5

About 1-pentylsulfonyl-4-(trifluoromethyl)piperidine

1-pentylsulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 75522287) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-pentylsulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-pentylsulfonyl-4-(trifluoromethyl)piperidine
PubChem CID75522287
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name1-pentylsulfonyl-4-(trifluoromethyl)piperidine
SMILESCCCCCS(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-2-3-4-9-18(16,17)15-7-5-10(6-8-15)11(12,13)14/h10H,2-9H2,1H3
InChIKeyUAWZGIHJEIDYTE-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentylsulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-pentylsulfonyl-4-(trifluoromethyl)piperidine (CID 75522287) is 1-pentylsulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-pentylsulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-pentylsulfonyl-4-(trifluoromethyl)piperidine is CCCCCS(=O)(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-pentylsulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is UAWZGIHJEIDYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-2-3-4-9-18(16,17)15-7-5-10(6-8-15)11(12,13)14/h10H,2-9H2,1H3.
What are the key properties of 1-pentylsulfonyl-4-(trifluoromethyl)piperidine?
1-pentylsulfonyl-4-(trifluoromethyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfonyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 75522287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).