2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine

C9H20FNO2S — CID 106735950

IUPAC2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(F)(CN)C(C)C
InChIInChI=1S/C9H20FNO2S/c1-4-14(12,13)6-5-9(10,7-11)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyYTCGJMXXDWTLGW-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.13
Rot. Bonds6

About 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine

2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 106735950) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine
PubChem CID106735950
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(F)(CN)C(C)C
InChIInChI=1S/C9H20FNO2S/c1-4-14(12,13)6-5-9(10,7-11)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyYTCGJMXXDWTLGW-UHFFFAOYSA-N
XLogP1.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine (CID 106735950) is 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine is CCS(=O)(=O)CCC(F)(CN)C(C)C.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is YTCGJMXXDWTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-4-14(12,13)6-5-9(10,7-11)8(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine?
2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 106735950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).