1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one

C16H23NO3S — CID 61253737

IUPAC1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCC(CC)CC2)c1
InChIInChI=1S/C16H23NO3S/c1-3-13-8-10-17(11-9-13)21(19,20)15-7-5-6-14(12-15)16(18)4-2/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyGWYSCIUTCJMELO-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one

1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one (PubChem CID 61253737) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
PubChem CID61253737
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCC(CC)CC2)c1
InChIInChI=1S/C16H23NO3S/c1-3-13-8-10-17(11-9-13)21(19,20)15-7-5-6-14(12-15)16(18)4-2/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyGWYSCIUTCJMELO-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
CID 119959947
4-(3-propanoylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 39447843
1-[3-[4-(3-aminopropoxy)piperidin-1-yl]sulfonylphenyl]propan-1-one
CID 119992916
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
CID 103823680
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219
3-propanoylbenzenesulfonic acid
CID 148597255
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
3-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 61422153

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one (CID 61253737) is 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one is CCC(=O)c1cccc(S(=O)(=O)N2CCC(CC)CC2)c1.
What is the InChIKey of 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one?
The InChIKey is GWYSCIUTCJMELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-13-8-10-17(11-9-13)21(19,20)15-7-5-6-14(12-15)16(18)4-2/h5-7,12-13H,3-4,8-11H2,1-2H3.
What are the key properties of 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one?
1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one has a molecular weight of 309.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 61253737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).