[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone

C16H24N2O3S — CID 119520336

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)15-6-4-14(5-7-15)16(19)18-10-8-13(9-11-18)12(2)17/h4-7,12-13H,3,8-11,17H2,1-2H3
InChIKeyJQBSRXHTOVMCBT-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.68
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone (PubChem CID 119520336) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
PubChem CID119520336
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)15-6-4-14(5-7-15)16(19)18-10-8-13(9-11-18)12(2)17/h4-7,12-13H,3,8-11,17H2,1-2H3
InChIKeyJQBSRXHTOVMCBT-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)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

4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
[4-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119520918
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119517490
(3R)-1-(4-ethylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134918
(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95332327
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
[4-(1-aminoethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119516982
N-[[4-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119518835
[4-(1-aminoethyl)piperidin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119520631
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone (CID 119520336) is [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone is CCS(=O)(=O)c1ccc(C(=O)N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone?
The InChIKey is JQBSRXHTOVMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-22(20,21)15-6-4-14(5-7-15)16(19)18-10-8-13(9-11-18)12(2)17/h4-7,12-13H,3,8-11,17H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone is sourced from PubChem (CID 119520336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).