3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one

C9H10BrNO2S — CID 43824126

IUPAC3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S/c10-8-2-1-6(14-8)5-11-7-3-4-13-9(7)12/h1-2,7,11H,3-5H2
InChIKeyASXCORGJWYXIGR-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.92
Rot. Bonds3

About 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one

3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one (PubChem CID 43824126) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one
PubChem CID43824126
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S/c10-8-2-1-6(14-8)5-11-7-3-4-13-9(7)12/h1-2,7,11H,3-5H2
InChIKeyASXCORGJWYXIGR-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
3-[(5-bromothiophen-2-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 54900259
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one (CID 43824126) is 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one is O=C1OCCC1NCc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one?
The InChIKey is ASXCORGJWYXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-8-2-1-6(14-8)5-11-7-3-4-13-9(7)12/h1-2,7,11H,3-5H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one?
3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one has a molecular weight of 276.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).