N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide

C16H27N5O5S — CID 24630476

IUPACN,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1
InChIInChI=1S/C16H27N5O5S/c1-4-19(5-2)27(24,25)20-10-8-18(9-11-20)16(23)14-6-7-15(22)21(17-14)12-13-26-3/h6-7H,4-5,8-13H2,1-3H3
InChIKeyOEIWWELIHQBSHU-UHFFFAOYSA-N
MW401.49 g/mol
LogP-0.77
Rot. Bonds8

About N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide

N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide (PubChem CID 24630476) has the molecular formula C16H27N5O5S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
PubChem CID24630476
Molecular FormulaC16H27N5O5S
Molecular Weight401.49 g/mol
Exact Mass401.17
IUPAC NameN,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1
InChIInChI=1S/C16H27N5O5S/c1-4-19(5-2)27(24,25)20-10-8-18(9-11-20)16(23)14-6-7-15(22)21(17-14)12-13-26-3/h6-7H,4-5,8-13H2,1-3H3
InChIKeyOEIWWELIHQBSHU-UHFFFAOYSA-N
XLogP-0.77
TPSA105.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
6-[(2R)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014405
6-[(2S)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014406
2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 38068227
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 55614050
2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
CID 29285075

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide (CID 24630476) is N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1.
What is the InChIKey of N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide?
The InChIKey is OEIWWELIHQBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O5S/c1-4-19(5-2)27(24,25)20-10-8-18(9-11-20)16(23)14-6-7-15(22)21(17-14)12-13-26-3/h6-7H,4-5,8-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of -0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24630476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).