furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone

C10H13NO4S — CID 71805486

IUPACfuran-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H13NO4S/c1-16(13,14)8-4-5-11(7-8)10(12)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyZOIINYNNVMFIGF-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.54
Rot. Bonds2

About furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone

furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 71805486) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID71805486
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namefuran-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H13NO4S/c1-16(13,14)8-4-5-11(7-8)10(12)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyZOIINYNNVMFIGF-UHFFFAOYSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 71805486) is furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is ZOIINYNNVMFIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(13,14)8-4-5-11(7-8)10(12)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 243.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71805486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).