2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

C13H18Cl2N2OS — CID 119388445

IUPAC2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CSc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C13H17ClN2OS.ClH/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyQQRUKDSQOQXZCD-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119388445) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119388445
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CSc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C13H17ClN2OS.ClH/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyQQRUKDSQOQXZCD-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119388445) is 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(CSc1ccc(Cl)cc1)NC1CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is QQRUKDSQOQXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS.ClH/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 321.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119388445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).