[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

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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).