[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone

C10H12BrNO2S — CID 116589114

IUPAC[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone
SMILESNCC1CCC(C(=O)c2sccc2Br)O1
InChIInChI=1S/C10H12BrNO2S/c11-7-3-4-15-10(7)9(13)8-2-1-6(5-12)14-8/h3-4,6,8H,1-2,5,12H2
InChIKeyMIFOPRTXJBJDQI-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.20
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone (PubChem CID 116589114) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone
PubChem CID116589114
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone
SMILESNCC1CCC(C(=O)c2sccc2Br)O1
InChIInChI=1S/C10H12BrNO2S/c11-7-3-4-15-10(7)9(13)8-2-1-6(5-12)14-8/h3-4,6,8H,1-2,5,12H2
InChIKeyMIFOPRTXJBJDQI-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
[5-(aminomethyl)oxolan-2-yl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114670126
(2S,5R)-5-(aminomethyl)-N-[(2-bromo-5-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120788732
(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
CID 120782509
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
CID 116589054
(2S,5R)-5-(aminomethyl)-N-thieno[3,2-d][1,3]thiazol-2-yloxolane-2-carboxamide;hydrochloride
CID 120794207
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
(2S,5R)-5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)oxolane-2-carboxamide
CID 120785826
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(3-bromothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanone
CID 115385889

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone (CID 116589114) is [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone is NCC1CCC(C(=O)c2sccc2Br)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone?
The InChIKey is MIFOPRTXJBJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-7-3-4-15-10(7)9(13)8-2-1-6(5-12)14-8/h3-4,6,8H,1-2,5,12H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 116589114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).