2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine

C11H24FNO2S — CID 112566615

IUPAC2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-16(14,15)8-6-7-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyNNHOWGIWFBNMHE-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.91
Rot. Bonds6

About 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine

2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine (PubChem CID 112566615) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine
PubChem CID112566615
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-16(14,15)8-6-7-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyNNHOWGIWFBNMHE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The IUPAC name of 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine (CID 112566615) is 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine.
What is the SMILES notation for 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The canonical SMILES for 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine is CCS(=O)(=O)CCCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The InChIKey is NNHOWGIWFBNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-5-16(14,15)8-6-7-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine is sourced from PubChem (CID 112566615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).