1-piperidin-4-yl-3-propylsulfonylpropan-1-one

C11H21NO3S — CID 106736093

IUPAC1-piperidin-4-yl-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CCNCC1
InChIInChI=1S/C11H21NO3S/c1-2-8-16(14,15)9-5-11(13)10-3-6-12-7-4-10/h10,12H,2-9H2,1H3
InChIKeyCOLQUNONLQSFGW-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.77
Rot. Bonds6

About 1-piperidin-4-yl-3-propylsulfonylpropan-1-one

1-piperidin-4-yl-3-propylsulfonylpropan-1-one (PubChem CID 106736093) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-4-yl-3-propylsulfonylpropan-1-one
PubChem CID106736093
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-piperidin-4-yl-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CCNCC1
InChIInChI=1S/C11H21NO3S/c1-2-8-16(14,15)9-5-11(13)10-3-6-12-7-4-10/h10,12H,2-9H2,1H3
InChIKeyCOLQUNONLQSFGW-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,1-Dioxo-4-(propan-2-ylamino)thian-4-yl]-2-methylpropan-1-one
CID 22893153
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394
4-(3-Butylsulfonylpropyl)piperidine
CID 57078100
5-[2-[(2S)-piperidin-2-yl]ethylsulfonyl]pentan-2-one
CID 58332252
5-Methyl-1-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)hexan-3-one
CID 58364444
1-[4-(Pentylsulfonylmethyl)pyrrolidin-3-yl]ethanone
CID 59066090
1-[1-(2-Ethylsulfonylethyl)piperidin-4-yl]ethanone
CID 59216611
4-butylsulfonyl-N-methylpiperidine-4-carboxamide
CID 60102904
1-(4-Ethylsulfonyl-1-methylpiperidin-4-yl)ethanone
CID 60102914
N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 61037734
3-Methylsulfonyl-1-piperidin-3-ylpropane-1,2-dione
CID 69176667
Cyclopropylsulfonyl(piperidin-4-yl)methanone
CID 87724022

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-piperidin-4-yl-3-propylsulfonylpropan-1-one (CID 106736093) is 1-piperidin-4-yl-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-piperidin-4-yl-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-piperidin-4-yl-3-propylsulfonylpropan-1-one is CCCS(=O)(=O)CCC(=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3-propylsulfonylpropan-1-one?
The InChIKey is COLQUNONLQSFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-8-16(14,15)9-5-11(13)10-3-6-12-7-4-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-piperidin-4-yl-3-propylsulfonylpropan-1-one?
1-piperidin-4-yl-3-propylsulfonylpropan-1-one has a molecular weight of 247.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106736093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).