3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

C16H19NO3S — CID 110423868

IUPAC3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyFBHYQIRBPKWCDW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.91
Rot. Bonds4

About 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (PubChem CID 110423868) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
PubChem CID110423868
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyFBHYQIRBPKWCDW-UHFFFAOYSA-N
XLogP2.91
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 110603860
3-(benzenesulfonyl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 90584961
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
(3R)-3-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 124619149
3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
CID 110612213
3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 110423892
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156772

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (CID 110423868) is 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine is Cc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The InChIKey is FBHYQIRBPKWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine has a molecular weight of 305.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 110423868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).