1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride

C13H18Cl2N2OS — CID 119374934

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2OS.ClH/c14-11-3-1-2-4-12(11)18-9-13(17)16-7-5-10(15)6-8-16;/h1-4,10H,5-9,15H2;1H
InChIKeyAVHAVKSRAFBYNB-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride (PubChem CID 119374934) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
PubChem CID119374934
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2OS.ClH/c14-11-3-1-2-4-12(11)18-9-13(17)16-7-5-10(15)6-8-16;/h1-4,10H,5-9,15H2;1H
InChIKeyAVHAVKSRAFBYNB-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride 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-[(4-chlorophenyl)thio]-N-cyclopentylpropanamide
CID 875416
N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2536502
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2567501
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
2-((4-Chlorophenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide
CID 557620
3-[(4-chlorophenyl)thio]-N-cyclohexylpropanamide
CID 875307
2-[(4-chlorophenyl)sulfanyl]-N-cyclopentylacetamide
CID 879862
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(1-piperazinyl)acetamide hydrochloride
CID 2990458
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807
2-(4-Chlorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 875237
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(piperazin-1-yl)acetamide
CID 2990459
3-[(4-chlorophenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 846653

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride (CID 119374934) is 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride is Cl.NC1CCN(C(=O)CSc2ccccc2Cl)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride?
The InChIKey is AVHAVKSRAFBYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS.ClH/c14-11-3-1-2-4-12(11)18-9-13(17)16-7-5-10(15)6-8-16;/h1-4,10H,5-9,15H2;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride has a molecular weight of 321.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride is sourced from PubChem (CID 119374934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).