N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine

C15H23Cl2N3S — CID 63266412

IUPACN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCSc1cc(Cl)ccc1Cl)CCN1CCNCC1
InChIInChI=1S/C15H23Cl2N3S/c1-19(8-9-20-6-4-18-5-7-20)10-11-21-15-12-13(16)2-3-14(15)17/h2-3,12,18H,4-11H2,1H3
InChIKeyHRFXUHZYCFDTOB-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63266412) has the molecular formula C15H23Cl2N3S and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63266412
Molecular FormulaC15H23Cl2N3S
Molecular Weight348.34 g/mol
Exact Mass347.10
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCSc1cc(Cl)ccc1Cl)CCN1CCNCC1
InChIInChI=1S/C15H23Cl2N3S/c1-19(8-9-20-6-4-18-5-7-20)10-11-21-15-12-13(16)2-3-14(15)17/h2-3,12,18H,4-11H2,1H3
InChIKeyHRFXUHZYCFDTOB-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
CID 63301823
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazine-2-carbonitrile
CID 79085341
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazin-1-ium chloride
CID 5351639
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
methyl 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-[2-(4-methylpiperazin-1-yl)ethyl]amino]acetate
CID 100691762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine (CID 63266412) is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine is CN(CCSc1cc(Cl)ccc1Cl)CCN1CCNCC1.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is HRFXUHZYCFDTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3S/c1-19(8-9-20-6-4-18-5-7-20)10-11-21-15-12-13(16)2-3-14(15)17/h2-3,12,18H,4-11H2,1H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 348.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).