(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone

C10H12BrNO2S — CID 86264212

IUPAC(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C10H12BrNO2S/c1-15-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3
InChIKeyPGPIVQUVVHDKOU-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.62
Rot. Bonds2

About (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone

(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone (PubChem CID 86264212) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
PubChem CID86264212
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C10H12BrNO2S/c1-15-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3
InChIKeyPGPIVQUVVHDKOU-UHFFFAOYSA-N
XLogP2.62
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
(4-chlorophenyl)-[(3S)-3-methylsulfanylpyrrolidin-1-yl]methanone
CID 99882867
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone (CID 86264212) is (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone is CSC1CCN(C(=O)c2ccc(Br)o2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone?
The InChIKey is PGPIVQUVVHDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-15-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone?
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86264212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).