5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine

C10H22FNO2S — CID 112566928

IUPAC5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-4-15(13,14)7-5-6-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyHOSOSBYBEKUMBN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds7

About 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine

5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine (PubChem CID 112566928) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine
PubChem CID112566928
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-4-15(13,14)7-5-6-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyHOSOSBYBEKUMBN-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine (CID 112566928) is 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine is CCS(=O)(=O)CCCC(F)(CN)C(C)C.
What is the InChIKey of 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine?
The InChIKey is HOSOSBYBEKUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-4-15(13,14)7-5-6-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine?
5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 112566928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).