2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline

C15H23FN2O2S — CID 62090364

IUPAC2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2c(N)cccc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-15(2,3)11-7-9-18(10-8-11)21(19,20)14-12(16)5-4-6-13(14)17/h4-6,11H,7-10,17H2,1-3H3
InChIKeyJYXLCTVIACWJIX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline

2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline (PubChem CID 62090364) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline
PubChem CID62090364
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2c(N)cccc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-15(2,3)11-7-9-18(10-8-11)21(19,20)14-12(16)5-4-6-13(14)17/h4-6,11H,7-10,17H2,1-3H3
InChIKeyJYXLCTVIACWJIX-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline (CID 62090364) is 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline is CC(C)(C)C1CCN(S(=O)(=O)c2c(N)cccc2F)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline?
The InChIKey is JYXLCTVIACWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-15(2,3)11-7-9-18(10-8-11)21(19,20)14-12(16)5-4-6-13(14)17/h4-6,11H,7-10,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline?
2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline has a molecular weight of 314.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline is sourced from PubChem (CID 62090364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).