1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone

C14H20N2O3S — CID 63222011

IUPAC1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-4-6-14(7-5-12)20(18,19)16-9-8-13(10-16)15(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyONADPQFVUDKUBL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.21
Rot. Bonds4

About 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone

1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 63222011) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
PubChem CID63222011
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-4-6-14(7-5-12)20(18,19)16-9-8-13(10-16)15(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyONADPQFVUDKUBL-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 63515136
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
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1-[4-[(3R)-3-methylsulfanylpiperidin-1-yl]sulfonylphenyl]ethanone
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CID 63164658
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone
CID 90594011
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CID 90608668

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone (CID 63222011) is 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cc1.
What is the InChIKey of 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is ONADPQFVUDKUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(17)12-4-6-14(7-5-12)20(18,19)16-9-8-13(10-16)15(2)3/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 296.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 63222011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).