2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine

C7H16FNO2S — CID 112565084

IUPAC2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCC(F)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C7H16FNO2S/c1-7(8,6-9)4-3-5-12(2,10)11/h3-6,9H2,1-2H3
InChIKeySNYIXZLZYDXTJJ-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds5

About 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine

2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine (PubChem CID 112565084) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine
PubChem CID112565084
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCC(F)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C7H16FNO2S/c1-7(8,6-9)4-3-5-12(2,10)11/h3-6,9H2,1-2H3
InChIKeySNYIXZLZYDXTJJ-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine (CID 112565084) is 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine is CC(F)(CN)CCCS(C)(=O)=O.
What is the InChIKey of 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine?
The InChIKey is SNYIXZLZYDXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-7(8,6-9)4-3-5-12(2,10)11/h3-6,9H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine?
2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 112565084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).