(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone

C10H12BrNO2S — CID 116561499

IUPAC(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1cscc1Br
InChIInChI=1S/C10H12BrNO2S/c1-12-9-3-14-2-6(9)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3
InChIKeyFNNAMLBGGIAJPX-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.93
Rot. Bonds3

About (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone

(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 116561499) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID116561499
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1cscc1Br
InChIInChI=1S/C10H12BrNO2S/c1-12-9-3-14-2-6(9)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3
InChIKeyFNNAMLBGGIAJPX-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone (CID 116561499) is (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is FNNAMLBGGIAJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-12-9-3-14-2-6(9)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone?
(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 290.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116561499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).