2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one

C10H15N3O3S — CID 62849985

IUPAC2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c14-10-2-1-4-12-13(10)6-5-11-9-3-7-17(15,16)8-9/h1-2,4,9,11H,3,5-8H2
InChIKeyIMFRUCZRVVBOGU-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.98
Rot. Bonds4

About 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one

2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one (PubChem CID 62849985) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
PubChem CID62849985
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c14-10-2-1-4-12-13(10)6-5-11-9-3-7-17(15,16)8-9/h1-2,4,9,11H,3,5-8H2
InChIKeyIMFRUCZRVVBOGU-UHFFFAOYSA-N
XLogP-0.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyrimidin-2-one
CID 62563290
5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
CID 62562815
N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 82793032
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103231380
(3S)-1,1-dioxo-N-[2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]thiolan-3-amine
CID 92628666
5-bromo-3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-2-methylpyrimidin-4-one
CID 66308822
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 113220131
N-[2-(6-chloroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62563402
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513
2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one (CID 62849985) is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one is O=c1cccnn1CCNC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one?
The InChIKey is IMFRUCZRVVBOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-10-2-1-4-12-13(10)6-5-11-9-3-7-17(15,16)8-9/h1-2,4,9,11H,3,5-8H2.
What are the key properties of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one?
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one has a molecular weight of 257.31 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 62849985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).