(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C15H20N2O5S — CID 124726607

IUPAC(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccco1
InChIInChI=1S/C15H20N2O5S/c1-10(13-3-2-5-22-13)16-15(19)11-7-14(18)17(8-11)12-4-6-23(20,21)9-12/h2-3,5,10-12H,4,6-9H2,1H3,(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyCDBULBBWFNXAOM-TUAOUCFPSA-N
MW340.40 g/mol
LogP0.49
Rot. Bonds4

About (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124726607) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124726607
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccco1
InChIInChI=1S/C15H20N2O5S/c1-10(13-3-2-5-22-13)16-15(19)11-7-14(18)17(8-11)12-4-6-23(20,21)9-12/h2-3,5,10-12H,4,6-9H2,1H3,(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyCDBULBBWFNXAOM-TUAOUCFPSA-N
XLogP0.49
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 35439776
(3S)-N-[(S)-cyclohexyl(phenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124792699
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
(3R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124824222
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184809
N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184749
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
1-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184750
1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 47043626

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 124726607) is (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccco1.
What is the InChIKey of (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CDBULBBWFNXAOM-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10(13-3-2-5-22-13)16-15(19)11-7-14(18)17(8-11)12-4-6-23(20,21)9-12/h2-3,5,10-12H,4,6-9H2,1H3,(H,16,19)/t10-,11+,12-/m0/s1.
What are the key properties of (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124726607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).