N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C15H24N2O4S — CID 70772487

IUPACN-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-3-5-12-10-17(11-14(12)16-22(2,19)20)15(18)8-7-13-6-4-9-21-13/h4,6,9,12,14,16H,3,5,7-8,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyPGRXALCCPWFCAX-TZMCWYRMSA-N
MW328.43 g/mol
LogP1.39
Rot. Bonds7

About N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70772487) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70772487
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-3-5-12-10-17(11-14(12)16-22(2,19)20)15(18)8-7-13-6-4-9-21-13/h4,6,9,12,14,16H,3,5,7-8,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyPGRXALCCPWFCAX-TZMCWYRMSA-N
XLogP1.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 70772487) is N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PGRXALCCPWFCAX-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-3-5-12-10-17(11-14(12)16-22(2,19)20)15(18)8-7-13-6-4-9-21-13/h4,6,9,12,14,16H,3,5,7-8,10-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(furan-2-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).