2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride

C14H32Cl2N4OS — CID 119446260

IUPAC2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
SMILESCCN(CC)CCSCC(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C14H30N4OS.2ClH/c1-3-17(4-2)11-12-20-13-14(19)16-7-10-18-8-5-15-6-9-18;;/h15H,3-13H2,1-2H3,(H,16,19);2*1H
InChIKeyAFDHWEUBRJACRP-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.93
Rot. Bonds10

About 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride

2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride (PubChem CID 119446260) has the molecular formula C14H32Cl2N4OS and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
PubChem CID119446260
Molecular FormulaC14H32Cl2N4OS
Molecular Weight375.41 g/mol
Exact Mass374.17
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
SMILESCCN(CC)CCSCC(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C14H30N4OS.2ClH/c1-3-17(4-2)11-12-20-13-14(19)16-7-10-18-8-5-15-6-9-18;;/h15H,3-13H2,1-2H3,(H,16,19);2*1H
InChIKeyAFDHWEUBRJACRP-UHFFFAOYSA-N
XLogP0.93
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2-[2-(diethylamino)ethylsulfanyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945911
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
CID 108517977
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride (CID 119446260) is 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride is CCN(CC)CCSCC(=O)NCCN1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The InChIKey is AFDHWEUBRJACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4OS.2ClH/c1-3-17(4-2)11-12-20-13-14(19)16-7-10-18-8-5-15-6-9-18;;/h15H,3-13H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride has a molecular weight of 375.41 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119446260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).