[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone

C15H22N2O3S — CID 90585104

IUPAC[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-16(2)13-6-4-5-12(11-13)15(18)17-9-7-14(8-10-17)21(3,19)20/h4-6,11,14H,7-10H2,1-3H3
InChIKeyWFGTXIFGLWRJBK-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.40
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 90585104) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID90585104
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-16(2)13-6-4-5-12(11-13)15(18)17-9-7-14(8-10-17)21(3,19)20/h4-6,11,14H,7-10H2,1-3H3
InChIKeyWFGTXIFGLWRJBK-UHFFFAOYSA-N
XLogP1.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[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
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone (CID 90585104) is [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCC(S(C)(=O)=O)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is WFGTXIFGLWRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-16(2)13-6-4-5-12(11-13)15(18)17-9-7-14(8-10-17)21(3,19)20/h4-6,11,14H,7-10H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 90585104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).