(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

C18H22N2O3S — CID 124866212

IUPAC(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN([C@@H]1CCc2ccccc21)S(=O)(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H22N2O3S/c1-19(16-11-10-14-6-2-3-7-15(14)16)24(21,22)20-12-4-8-17(20)18-9-5-13-23-18/h2-3,5-7,9,13,16-17H,4,8,10-12H2,1H3/t16-,17+/m1/s1
InChIKeyOWQXTOUZSOHSRC-SJORKVTESA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds4

About (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 124866212) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID124866212
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN([C@@H]1CCc2ccccc21)S(=O)(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H22N2O3S/c1-19(16-11-10-14-6-2-3-7-15(14)16)24(21,22)20-12-4-8-17(20)18-9-5-13-23-18/h2-3,5-7,9,13,16-17H,4,8,10-12H2,1H3/t16-,17+/m1/s1
InChIKeyOWQXTOUZSOHSRC-SJORKVTESA-N
XLogP3.28
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 97001983
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510791
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
CID 96510934
(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
CID 100850865
(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 124859756
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (CID 124866212) is (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is CN([C@@H]1CCc2ccccc21)S(=O)(=O)N1CCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is OWQXTOUZSOHSRC-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19(16-11-10-14-6-2-3-7-15(14)16)24(21,22)20-12-4-8-17(20)18-9-5-13-23-18/h2-3,5-7,9,13,16-17H,4,8,10-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 124866212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).