N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

C11H16BrCl2N3O2S — CID 119941546

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C11H14BrN3O2S.2ClH/c12-7-3-9(11(17)14-5-7)15-10(16)4-8-6-18-2-1-13-8;;/h3,5,8,13H,1-2,4,6H2,(H,14,17)(H,15,16);2*1H
InChIKeyPPPOMHNECNBWQZ-UHFFFAOYSA-N
MW405.15 g/mol
LogP2.01
Rot. Bonds3

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941546) has the molecular formula C11H16BrCl2N3O2S and a molecular weight of 405.15 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941546
Molecular FormulaC11H16BrCl2N3O2S
Molecular Weight405.15 g/mol
Exact Mass402.95
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C11H14BrN3O2S.2ClH/c12-7-3-9(11(17)14-5-7)15-10(16)4-8-6-18-2-1-13-8;;/h3,5,8,13H,1-2,4,6H2,(H,14,17)(H,15,16);2*1H
InChIKeyPPPOMHNECNBWQZ-UHFFFAOYSA-N
XLogP2.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.15
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
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CID 114259879
N-(4-bromo-2-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 82708529
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide
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N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941546) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is PPPOMHNECNBWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S.2ClH/c12-7-3-9(11(17)14-5-7)15-10(16)4-8-6-18-2-1-13-8;;/h3,5,8,13H,1-2,4,6H2,(H,14,17)(H,15,16);2*1H.
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 405.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).