5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide

C10H12BrNO2S — CID 130748381

IUPAC5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
SMILESCC1SCCC1NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c1-6-8(2-3-15-6)12-10(13)7-4-9(11)14-5-7/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyZIDMUPAITYXYRB-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.67
Rot. Bonds2

About 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide

5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide (PubChem CID 130748381) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
PubChem CID130748381
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
SMILESCC1SCCC1NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c1-6-8(2-3-15-6)12-10(13)7-4-9(11)14-5-7/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyZIDMUPAITYXYRB-UHFFFAOYSA-N
XLogP2.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
CID 131142474
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
CID 130697664
5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
5-bromo-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119425749
N'-acetyl-5-bromofuran-3-carbohydrazide
CID 130748449
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
5-methyl-N-(4-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 114819355
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 131041505
N-(2-methylcyclohexyl)-5-(methylsulfamoyl)furan-3-carboxamide
CID 154858067
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide (CID 130748381) is 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide is CC1SCCC1NC(=O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide?
The InChIKey is ZIDMUPAITYXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-6-8(2-3-15-6)12-10(13)7-4-9(11)14-5-7/h4-6,8H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide?
5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide is sourced from PubChem (CID 130748381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).