N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride

C14H21Cl2N3OS — CID 2990458

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3OS.ClH/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)11-18-8-5-16-6-9-18;/h1-4,16H,5-11H2,(H,17,19);1H
InChIKeyYAAAPKVEGQQEGN-UHFFFAOYSA-N
MW350.32 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride

N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 2990458) has the molecular formula C14H21Cl2N3OS and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID2990458
Molecular FormulaC14H21Cl2N3OS
Molecular Weight350.32 g/mol
Exact Mass349.08
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3OS.ClH/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)11-18-8-5-16-6-9-18;/h1-4,16H,5-11H2,(H,17,19);1H
InChIKeyYAAAPKVEGQQEGN-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride (CID 2990458) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCNCC1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is YAAAPKVEGQQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS.ClH/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)11-18-8-5-16-6-9-18;/h1-4,16H,5-11H2,(H,17,19);1H.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 350.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2990458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).