N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C15H24N2O4S — CID 70740824

IUPACN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-5-6-12-8-17(9-14(12)16-22(4,19)20)15(18)13-7-10(2)21-11(13)3/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14-/m1/s1
InChIKeyIDAPYEILZKSTPD-TZMCWYRMSA-N
MW328.43 g/mol
LogP1.69
Rot. Bonds5

About N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70740824) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70740824
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-5-6-12-8-17(9-14(12)16-22(4,19)20)15(18)13-7-10(2)21-11(13)3/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14-/m1/s1
InChIKeyIDAPYEILZKSTPD-TZMCWYRMSA-N
XLogP1.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133134513
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)-1-(5-methoxy-1H-indole-2-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72936224
N-[(3S,4R)-4-propyl-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methanesulfonamide
CID 72887421
N-[(3R,4S)-1-[3-(4-fluorophenyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72861405
(2,5-dimethylfuran-3-yl)-[4-(ethylamino)-3-methylpiperidin-1-yl]methanone
CID 114498416
N-[(3S,4R)-1-(2-imidazol-1-ylacetyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739288
N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133132819
(2,5-dimethylfuran-3-yl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70781211
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641373
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 70740824) is N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IDAPYEILZKSTPD-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-6-12-8-17(9-14(12)16-22(4,19)20)15(18)13-7-10(2)21-11(13)3/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.69, 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-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70740824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).