2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine

C11H25NO2S — CID 62723247

IUPAC2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCC(CC)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-4)8-9-15(13,14)7-3/h12H,5-10H2,1-4H3
InChIKeyFQDCZWGXOJDKBG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine

2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine (PubChem CID 62723247) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine
PubChem CID62723247
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCC(CC)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-4)8-9-15(13,14)7-3/h12H,5-10H2,1-4H3
InChIKeyFQDCZWGXOJDKBG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine?
The IUPAC name of 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine (CID 62723247) is 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine?
The canonical SMILES for 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine is CCC(CC)(CCS(=O)(=O)CC)CNC.
What is the InChIKey of 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine?
The InChIKey is FQDCZWGXOJDKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-4)8-9-15(13,14)7-3/h12H,5-10H2,1-4H3.
What are the key properties of 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine?
2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine is sourced from PubChem (CID 62723247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).