1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one

C11H21NO3S — CID 106736437

IUPAC1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CNCC1C
InChIInChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)10-8-12-7-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZEBADXYRGZZRDH-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.63
Rot. Bonds6

About 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one

1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one (PubChem CID 106736437) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one
PubChem CID106736437
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CNCC1C
InChIInChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)10-8-12-7-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZEBADXYRGZZRDH-UHFFFAOYSA-N
XLogP0.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424
4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one
CID 106736961
3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
CID 106736089
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
2-ethoxy-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572449
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
N-[2-(ethylsulfamoyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 103822199
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572487
4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
CID 65420809
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
CID 103287565

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one (CID 106736437) is 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one is CCCS(=O)(=O)CCC(=O)C1CNCC1C.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one?
The InChIKey is ZEBADXYRGZZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)10-8-12-7-9(10)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one?
1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one has a molecular weight of 247.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106736437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).