(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone

C10H12BrNO2S — CID 116561355

IUPAC(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c1-12-8-5-14-4-6(8)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3
InChIKeyOANLHGOGSKFLPZ-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.93
Rot. Bonds3

About (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone

(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 116561355) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID116561355
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c1-12-8-5-14-4-6(8)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3
InChIKeyOANLHGOGSKFLPZ-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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Related Compounds

(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561499
furan-3-yl-[4-(methylamino)oxolan-3-yl]methanone
CID 116561550
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561275
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828
[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
CID 116561335
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
2-bicyclo[2.2.1]heptanyl-(3-bromothiophen-2-yl)methanone
CID 80534940
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266835
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222473

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone (CID 116561355) is (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is OANLHGOGSKFLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-12-8-5-14-4-6(8)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone?
(3-bromothiophen-2-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 (3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116561355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).