6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one

C10H21NO3S — CID 106736208

IUPAC6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one
SMILESCNCCCC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)15(13,14)8-6-10(12)5-4-7-11-3/h9,11H,4-8H2,1-3H3
InChIKeyCQRFYEJIOFPUML-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.77
Rot. Bonds8

About 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one

6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one (PubChem CID 106736208) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one
PubChem CID106736208
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one
SMILESCNCCCC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)15(13,14)8-6-10(12)5-4-7-11-3/h9,11H,4-8H2,1-3H3
InChIKeyCQRFYEJIOFPUML-UHFFFAOYSA-N
XLogP0.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[(2S)-piperidin-2-yl]ethylsulfonyl]pentan-2-one
CID 58332252
4-(Ethylamino)-6-methylsulfonylhexan-3-one
CID 89317478
(4S)-4-(methylamino)-6-methylsulfonylhexan-3-one
CID 121246024
5-Ethylsulfonyl-3-(methylamino)pentan-2-one
CID 130440230
5-(Methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one
CID 159565448
(2-Acetylsulfanyl-4-oxopentyl)-dimethylazanium
CID 163896257
4-Piperidin-3-ylsulfonylbutan-2-one
CID 84755134
1-Piperidin-4-yl-3-propan-2-ylsulfonylpropan-1-one
CID 106736090
3-Ethylsulfonyl-1-piperidin-4-ylpropan-1-one
CID 106736091
3-Tert-butylsulfonyl-1-piperidin-4-ylpropan-1-one
CID 106736092
1-Piperidin-4-yl-3-propylsulfonylpropan-1-one
CID 106736093
1-Amino-5-propan-2-ylsulfonylpentan-3-one
CID 106736141

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one?
The IUPAC name of 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one (CID 106736208) is 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one.
What is the SMILES notation for 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one?
The canonical SMILES for 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one is CNCCCC(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one?
The InChIKey is CQRFYEJIOFPUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)15(13,14)8-6-10(12)5-4-7-11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one?
6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one has a molecular weight of 235.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1-propan-2-ylsulfonylhexan-3-one is sourced from PubChem (CID 106736208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).