(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine

C17H19NO4S — CID 95770658

IUPAC(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)o1
InChIInChI=1S/C17H19NO4S/c1-12-4-7-17(22-12)16-3-2-8-18(16)23(19,20)15-6-5-13-10-21-11-14(13)9-15/h4-7,9,16H,2-3,8,10-11H2,1H3/t16-/m1/s1
InChIKeyBMAMILYOUFNRFK-MRXNPFEDSA-N
MW333.41 g/mol
LogP3.14
Rot. Bonds3

About (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine

(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine (PubChem CID 95770658) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
PubChem CID95770658
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)o1
InChIInChI=1S/C17H19NO4S/c1-12-4-7-17(22-12)16-3-2-8-18(16)23(19,20)15-6-5-13-10-21-11-14(13)9-15/h4-7,9,16H,2-3,8,10-11H2,1H3/t16-/m1/s1
InChIKeyBMAMILYOUFNRFK-MRXNPFEDSA-N
XLogP3.14
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
1-[7-[3-(5-methylfuran-2-yl)morpholin-4-yl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 138995368
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine?
The IUPAC name of (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine (CID 95770658) is (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine.
What is the SMILES notation for (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine?
The canonical SMILES for (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine is Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)o1.
What is the InChIKey of (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine?
The InChIKey is BMAMILYOUFNRFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-4-7-17(22-12)16-3-2-8-18(16)23(19,20)15-6-5-13-10-21-11-14(13)9-15/h4-7,9,16H,2-3,8,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine?
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine has a molecular weight of 333.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine is sourced from PubChem (CID 95770658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).