4-[2-butylsulfonylethyl(methyl)amino]butan-2-one

C11H23NO3S — CID 122644656

IUPAC4-[2-butylsulfonylethyl(methyl)amino]butan-2-one
SMILESCCCCS(=O)(=O)CCN(C)CCC(C)=O
InChIInChI=1S/C11H23NO3S/c1-4-5-9-16(14,15)10-8-12(3)7-6-11(2)13/h4-10H2,1-3H3
InChIKeyDRZHIXGFJZDMRR-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.11
Rot. Bonds9

About 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one

4-[2-butylsulfonylethyl(methyl)amino]butan-2-one (PubChem CID 122644656) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2-butylsulfonylethyl(methyl)amino]butan-2-one
PubChem CID122644656
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-[2-butylsulfonylethyl(methyl)amino]butan-2-one
SMILESCCCCS(=O)(=O)CCN(C)CCC(C)=O
InChIInChI=1S/C11H23NO3S/c1-4-5-9-16(14,15)10-8-12(3)7-6-11(2)13/h4-10H2,1-3H3
InChIKeyDRZHIXGFJZDMRR-UHFFFAOYSA-N
XLogP1.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one?
The IUPAC name of 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one (CID 122644656) is 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one.
What is the SMILES notation for 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one?
The canonical SMILES for 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one is CCCCS(=O)(=O)CCN(C)CCC(C)=O.
What is the InChIKey of 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one?
The InChIKey is DRZHIXGFJZDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-5-9-16(14,15)10-8-12(3)7-6-11(2)13/h4-10H2,1-3H3.
What are the key properties of 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one?
4-[2-butylsulfonylethyl(methyl)amino]butan-2-one has a molecular weight of 249.38 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butylsulfonylethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 122644656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).