1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone

C11H20O4S — CID 104756176

IUPAC1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone
SMILESCOCCCS(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-15-7-4-8-16(13,14)9-11(12)10-5-2-3-6-10/h10H,2-9H2,1H3
InChIKeyWPAJGXFOFMJIGT-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.20
Rot. Bonds7

About 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone

1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone (PubChem CID 104756176) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone
PubChem CID104756176
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone
SMILESCOCCCS(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-15-7-4-8-16(13,14)9-11(12)10-5-2-3-6-10/h10H,2-9H2,1H3
InChIKeyWPAJGXFOFMJIGT-UHFFFAOYSA-N
XLogP1.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
CID 78954390
1-cyclohexyl-2-[2-methoxyethyl(3-methoxypropyl)amino]ethanone
CID 104750189
1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
CID 107767727
2-cyclopentyl-2-oxoethanesulfonamide
CID 115018624
2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
CID 64673487
N-cyclopropyl-N-ethyl-2-(2-methoxyethylsulfonyl)acetamide
CID 78877022
1-[1-(3-methoxypropylsulfonyl)azepan-2-yl]propan-2-one
CID 79553608
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanone
CID 104756338
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
(E)-2-(2-cyclopentyl-2-oxoethyl)-3-(2-methoxyethyl)but-2-enedioic acid
CID 22289152
N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 102639350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone (CID 104756176) is 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone is COCCCS(=O)(=O)CC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone?
The InChIKey is WPAJGXFOFMJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-15-7-4-8-16(13,14)9-11(12)10-5-2-3-6-10/h10H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone?
1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone has a molecular weight of 248.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone is sourced from PubChem (CID 104756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).