2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide

C15H22ClN3OS — CID 134064860

IUPAC2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide
SMILESNCCSCC(=O)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C15H22ClN3OS/c16-12-5-4-6-13(18-14(20)11-21-10-7-17)15(12)19-8-2-1-3-9-19/h4-6H,1-3,7-11,17H2,(H,18,20)
InChIKeyCEEPDEACKFEVFZ-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.96
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide

2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide (PubChem CID 134064860) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide
PubChem CID134064860
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide
SMILESNCCSCC(=O)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C15H22ClN3OS/c16-12-5-4-6-13(18-14(20)11-21-10-7-17)15(12)19-8-2-1-3-9-19/h4-6H,1-3,7-11,17H2,(H,18,20)
InChIKeyCEEPDEACKFEVFZ-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide 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

N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
2-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 3933868
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
CID 4028317
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4008066
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide (CID 134064860) is 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide is NCCSCC(=O)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide?
The InChIKey is CEEPDEACKFEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c16-12-5-4-6-13(18-14(20)11-21-10-7-17)15(12)19-8-2-1-3-9-19/h4-6H,1-3,7-11,17H2,(H,18,20).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide has a molecular weight of 327.88 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 134064860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).