(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide

C16H26N2O4S — CID 124860181

IUPAC(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C[C@H]1CCCO1)S(=O)(=O)N1CCC[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H26N2O4S/c1-3-17(12-14-6-5-11-21-14)23(19,20)18-10-4-7-15(18)16-9-8-13(2)22-16/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyZLZGGCNOLFQNIN-CABCVRRESA-N
MW342.46 g/mol
LogP2.47
Rot. Bonds6

About (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide

(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 124860181) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID124860181
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C[C@H]1CCCO1)S(=O)(=O)N1CCC[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H26N2O4S/c1-3-17(12-14-6-5-11-21-14)23(19,20)18-10-4-7-15(18)16-9-8-13(2)22-16/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyZLZGGCNOLFQNIN-CABCVRRESA-N
XLogP2.47
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
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1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873051
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
CID 95770658
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
CID 131952531

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 124860181) is (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide is CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCC[C@H]1c1ccc(C)o1.
What is the InChIKey of (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is ZLZGGCNOLFQNIN-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-3-17(12-14-6-5-11-21-14)23(19,20)18-10-4-7-15(18)16-9-8-13(2)22-16/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide?
(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124860181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).