2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one

C10H21NO3S — CID 106736607

IUPAC2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one
SMILESCNCC(C)C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)6-5-10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyKKXASXZDGUPJJV-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.62
Rot. Bonds7

About 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one

2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one (PubChem CID 106736607) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one
PubChem CID106736607
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one
SMILESCNCC(C)C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)6-5-10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyKKXASXZDGUPJJV-UHFFFAOYSA-N
XLogP0.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one?
The IUPAC name of 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one (CID 106736607) is 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one.
What is the SMILES notation for 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one?
The canonical SMILES for 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one is CNCC(C)C(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one?
The InChIKey is KKXASXZDGUPJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)15(13,14)6-5-10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one?
2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one has a molecular weight of 235.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-5-propan-2-ylsulfonylpentan-3-one is sourced from PubChem (CID 106736607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).