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

2-Methanesulfonyl-1-(pyrrolidin-3-yl)ethan-1-one hydrochloride
CID 145913659
2-Methanesulfonyl-1-(pyrrolidin-3-yl)ethan-1-one
CID 115018607
1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-4-methylsulfonylbutan-2-one
CID 148694718
3-Ethylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 106736438
3-Tert-butylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 106736439
3-Propylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 106736440
3-Propan-2-ylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 113871406
4-Methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one
CID 116572785
4-Ethylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one
CID 116572852
3-Methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572938
1-[1,1-Dioxo-3-(propan-2-ylamino)thiolan-3-yl]-2-methylpropan-1-one
CID 22893120
1-[4-(Pentylsulfonylmethyl)pyrrolidin-3-yl]ethanone
CID 59066090

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).