(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone

C9H10BrNO2S — CID 116579677

IUPAC(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESNC1(C(=O)c2cscc2Br)CCOC1
InChIInChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)8(12)9(11)1-2-13-5-9/h3-4H,1-2,5,11H2
InChIKeyKQPQXDBCTZXXIT-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.81
Rot. Bonds2

About (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone

(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone (PubChem CID 116579677) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
PubChem CID116579677
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESNC1(C(=O)c2cscc2Br)CCOC1
InChIInChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)8(12)9(11)1-2-13-5-9/h3-4H,1-2,5,11H2
InChIKeyKQPQXDBCTZXXIT-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone (CID 116579677) is (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone is NC1(C(=O)c2cscc2Br)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is KQPQXDBCTZXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)8(12)9(11)1-2-13-5-9/h3-4H,1-2,5,11H2.
What are the key properties of (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
(3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 276.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 116579677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).