2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine

C10H22FNO2S — CID 112566481

IUPAC2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine
SMILESCC(C)(C)C(F)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C10H22FNO2S/c1-9(2,3)10(11,8-12)6-5-7-15(4,13)14/h5-8,12H2,1-4H3
InChIKeyPGMVFKQSNVVWOY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds5

About 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine

2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine (PubChem CID 112566481) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine
PubChem CID112566481
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine
SMILESCC(C)(C)C(F)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C10H22FNO2S/c1-9(2,3)10(11,8-12)6-5-7-15(4,13)14/h5-8,12H2,1-4H3
InChIKeyPGMVFKQSNVVWOY-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine (CID 112566481) is 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine is CC(C)(C)C(F)(CN)CCCS(C)(=O)=O.
What is the InChIKey of 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine?
The InChIKey is PGMVFKQSNVVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-9(2,3)10(11,8-12)6-5-7-15(4,13)14/h5-8,12H2,1-4H3.
What are the key properties of 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine?
2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 112566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).