[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

C14H20N2O3S — CID 90584571

IUPAC[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-15(2)12-6-4-5-11(9-12)14(17)16-8-7-13(10-16)20(3,18)19/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyPYHBPZUXISZENF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.01
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 90584571) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID90584571
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-15(2)12-6-4-5-11(9-12)14(17)16-8-7-13(10-16)20(3,18)19/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyPYHBPZUXISZENF-UHFFFAOYSA-N
XLogP1.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178515
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
[3-(4-fluorophenoxy)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586932
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 90584571) is [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is PYHBPZUXISZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)12-6-4-5-11(9-12)14(17)16-8-7-13(10-16)20(3,18)19/h4-6,9,13H,7-8,10H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 90584571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).