5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one

C11H15BrN2O3S — CID 62562815

IUPAC5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H15BrN2O3S/c12-9-1-2-11(15)14(7-9)5-4-13-10-3-6-18(16,17)8-10/h1-2,7,10,13H,3-6,8H2
InChIKeyBYDCJERIMVBXGL-UHFFFAOYSA-N
MW335.22 g/mol
LogP0.39
Rot. Bonds4

About 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one

5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one (PubChem CID 62562815) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
PubChem CID62562815
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H15BrN2O3S/c12-9-1-2-11(15)14(7-9)5-4-13-10-3-6-18(16,17)8-10/h1-2,7,10,13H,3-6,8H2
InChIKeyBYDCJERIMVBXGL-UHFFFAOYSA-N
XLogP0.39
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
CID 62849985
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyrimidin-2-one
CID 62563290
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
CID 62563342
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 65347892
5-bromo-3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-2-methylpyrimidin-4-one
CID 66308822
N-[2-(6-chloroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62563402
N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 82793032
N-[2-(2,4-dibromophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 62598403
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103231380
N-[2-(2-bromophenyl)ethyl]-1,1-dioxothiolan-3-amine;hydrochloride
CID 45158528
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 55089467

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one (CID 62562815) is 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCNC1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The InChIKey is BYDCJERIMVBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-9-1-2-11(15)14(7-9)5-4-13-10-3-6-18(16,17)8-10/h1-2,7,10,13H,3-6,8H2.
What are the key properties of 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one has a molecular weight of 335.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 62562815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).