2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine

C11H24FNO2S — CID 106735961

IUPAC2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-6-11(12,9-13)7-8-16(14,15)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyZGFWINXIASSMCC-UHFFFAOYSA-N
MW253.38 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine

2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine (PubChem CID 106735961) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine
PubChem CID106735961
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-6-11(12,9-13)7-8-16(14,15)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyZGFWINXIASSMCC-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine 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 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine (CID 106735961) is 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine is CCCC(F)(CN)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine?
The InChIKey is ZGFWINXIASSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-5-6-11(12,9-13)7-8-16(14,15)10(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine?
2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-2-fluoropentan-1-amine is sourced from PubChem (CID 106735961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).