2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine

C9H20FNO2S — CID 106735937

IUPAC2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CC)CN
InChIInChI=1S/C9H20FNO2S/c1-3-6-14(12,13)7-5-9(10,4-2)8-11/h3-8,11H2,1-2H3
InChIKeyPJYZHSKNGYFSQO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.28
Rot. Bonds7

About 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine

2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine (PubChem CID 106735937) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine
PubChem CID106735937
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CC)CN
InChIInChI=1S/C9H20FNO2S/c1-3-6-14(12,13)7-5-9(10,4-2)8-11/h3-8,11H2,1-2H3
InChIKeyPJYZHSKNGYFSQO-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine (CID 106735937) is 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine is CCCS(=O)(=O)CCC(F)(CC)CN.
What is the InChIKey of 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine?
The InChIKey is PJYZHSKNGYFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-3-6-14(12,13)7-5-9(10,4-2)8-11/h3-8,11H2,1-2H3.
What are the key properties of 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine?
2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-4-propylsulfonylbutan-1-amine is sourced from PubChem (CID 106735937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).