[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

C18H28N2O3S — CID 90590000

IUPAC[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)13-24(22,23)17-8-10-20(11-9-17)18(21)15-6-5-7-16(12-15)19(3)4/h5-7,12,14,17H,8-11,13H2,1-4H3
InChIKeyORHHTSYKFNGNDH-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.43
Rot. Bonds5

About [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (PubChem CID 90590000) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
PubChem CID90590000
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)13-24(22,23)17-8-10-20(11-9-17)18(21)15-6-5-7-16(12-15)19(3)4/h5-7,12,14,17H,8-11,13H2,1-4H3
InChIKeyORHHTSYKFNGNDH-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-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
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590069
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (CID 90590000) is [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is ORHHTSYKFNGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)13-24(22,23)17-8-10-20(11-9-17)18(21)15-6-5-7-16(12-15)19(3)4/h5-7,12,14,17H,8-11,13H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 352.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90590000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).