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

C9H10BrNO2S — CID 116587591

IUPAC(4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESNC1COCC1C(=O)c1cscc1Br
InChIInChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)9(12)5-1-13-2-8(5)11/h3-5,8H,1-2,11H2
InChIKeyYAWKYPFKOGPTHZ-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.67
Rot. Bonds2

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

(4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone (PubChem CID 116587591) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
PubChem CID116587591
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name(4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESNC1COCC1C(=O)c1cscc1Br
InChIInChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)9(12)5-1-13-2-8(5)11/h3-5,8H,1-2,11H2
InChIKeyYAWKYPFKOGPTHZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone (CID 116587591) is (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone is NC1COCC1C(=O)c1cscc1Br.
What is the InChIKey of (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is YAWKYPFKOGPTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-7-4-14-3-6(7)9(12)5-1-13-2-8(5)11/h3-5,8H,1-2,11H2.
What are the key properties of (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
(4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 276.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 116587591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).