N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

C16H26N4O2S — CID 28954107

IUPACN-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCCSC2CCCCC2)c(=O)c1
InChIInChI=1S/C16H26N4O2S/c1-19(2)13-10-16(22)20(18-11-13)12-15(21)17-8-9-23-14-6-4-3-5-7-14/h10-11,14H,3-9,12H2,1-2H3,(H,17,21)
InChIKeyIVCZGHCZKVQOIN-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.49
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 28954107) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID28954107
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCCSC2CCCCC2)c(=O)c1
InChIInChI=1S/C16H26N4O2S/c1-19(2)13-10-16(22)20(18-11-13)12-15(21)17-8-9-23-14-6-4-3-5-7-14/h10-11,14H,3-9,12H2,1-2H3,(H,17,21)
InChIKeyIVCZGHCZKVQOIN-UHFFFAOYSA-N
XLogP1.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylthio)ethyl]-5-(1-piperazinyl)-3(2H)-pyridazinone
CID 28139138
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
CID 45211558
N-isopropyl-2-[4-methyl-3,5-dioxo-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
CID 53136295
N-Cyclohexyl-2-{4-ethyl-3,5-dioxo-2H,3H,4H,5H,6H-pyridazino[4,5-B][1,4]thiazin-6-YL}acetamide
CID 53136324
2-(2-Oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one
CID 72909189
5-(2-Aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103221047
5-(2-Aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103221048
5-(2-Aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103221152
5-(2-Aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103221311
5-[2-Aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103223367
5-[2-Aminoethyl(methyl)amino]-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103223368
5-[2-Aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103223428

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (CID 28954107) is N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is CN(C)c1cnn(CC(=O)NCCSC2CCCCC2)c(=O)c1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IVCZGHCZKVQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-19(2)13-10-16(22)20(18-11-13)12-15(21)17-8-9-23-14-6-4-3-5-7-14/h10-11,14H,3-9,12H2,1-2H3,(H,17,21).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 338.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 28954107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).