(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide

C15H24N2O4S — CID 96510791

IUPAC(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C15H24N2O4S/c1-2-16(11-13-7-10-20-12-13)22(18,19)17-8-3-5-14(17)15-6-4-9-21-15/h4,6,9,13-14H,2-3,5,7-8,10-12H2,1H3/t13-,14+/m0/s1
InChIKeyCBLOVMRAVBBASM-UONOGXRCSA-N
MW328.43 g/mol
LogP2.02
Rot. Bonds6

About (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide

(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 96510791) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID96510791
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C15H24N2O4S/c1-2-16(11-13-7-10-20-12-13)22(18,19)17-8-3-5-14(17)15-6-4-9-21-15/h4,6,9,13-14H,2-3,5,7-8,10-12H2,1H3/t13-,14+/m0/s1
InChIKeyCBLOVMRAVBBASM-UONOGXRCSA-N
XLogP2.02
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
CID 100850865
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124860181
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 124866212
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
(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
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 96510791) is (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide is CCN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is CBLOVMRAVBBASM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-2-16(11-13-7-10-20-12-13)22(18,19)17-8-3-5-14(17)15-6-4-9-21-15/h4,6,9,13-14H,2-3,5,7-8,10-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide?
(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 96510791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).