N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

C9H11N3O4S — CID 30789067

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m0/s1
InChIKeyYDVQFJXMHNYZSO-LURJTMIESA-N
MW257.27 g/mol
LogP-1.31
Rot. Bonds2

About N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30789067) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30789067
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m0/s1
InChIKeyYDVQFJXMHNYZSO-LURJTMIESA-N
XLogP-1.31
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 156586122
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110745997
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30789067) is N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YDVQFJXMHNYZSO-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 257.27 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30789067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).