N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C13H20N2O4S — CID 133134513

IUPACN-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-4-10-7-15(8-12(10)14-20(2,17)18)13(16)11-5-6-19-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyJHONBROQPHEGHG-ZYHUDNBSSA-N
MW300.38 g/mol
LogP1.07
Rot. Bonds5

About N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 133134513) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID133134513
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-4-10-7-15(8-12(10)14-20(2,17)18)13(16)11-5-6-19-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyJHONBROQPHEGHG-ZYHUDNBSSA-N
XLogP1.07
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70710992
N-[(3S,4R)-1-(2H-benzotriazole-5-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70774223
N-[(3S,4R)-4-propyl-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methanesulfonamide
CID 72887421
N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70740824
N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133132819
N-[(3R,4S)-1-[3-(4-fluorophenyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72861405
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
N-[(3S,4R)-1-(2-imidazol-1-ylacetyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739288
N-[(3S,4R)-1-[3-(benzimidazol-1-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70718778
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641373

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 133134513) is N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JHONBROQPHEGHG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-10-7-15(8-12(10)14-20(2,17)18)13(16)11-5-6-19-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133134513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).