4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine

C10H22FNO2S — CID 106735938

IUPAC4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22FNO2S/c1-5-10(11,8-12)6-7-15(13,14)9(2,3)4/h5-8,12H2,1-4H3
InChIKeyKMPGGCBNRHVMLZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds5

About 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine

4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine (PubChem CID 106735938) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine
PubChem CID106735938
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22FNO2S/c1-5-10(11,8-12)6-7-15(13,14)9(2,3)4/h5-8,12H2,1-4H3
InChIKeyKMPGGCBNRHVMLZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine?
The IUPAC name of 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine (CID 106735938) is 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine?
The canonical SMILES for 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine is CCC(F)(CN)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine?
The InChIKey is KMPGGCBNRHVMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-5-10(11,8-12)6-7-15(13,14)9(2,3)4/h5-8,12H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine?
4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine is sourced from PubChem (CID 106735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).