N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C15H29N3O3S — CID 72875686

IUPACN-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C15H29N3O3S/c1-3-7-13-10-17(11-14(13)16-22(2,20)21)12-15(19)18-8-5-4-6-9-18/h13-14,16H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWWVAODBYVWBEDF-KBPBESRZSA-N
MW331.48 g/mol
LogP0.65
Rot. Bonds6

About N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72875686) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72875686
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C15H29N3O3S/c1-3-7-13-10-17(11-14(13)16-22(2,20)21)12-15(19)18-8-5-4-6-9-18/h13-14,16H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWWVAODBYVWBEDF-KBPBESRZSA-N
XLogP0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72875686) is N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WWVAODBYVWBEDF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-3-7-13-10-17(11-14(13)16-22(2,20)21)12-15(19)18-8-5-4-6-9-18/h13-14,16H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-oxo-2-piperidin-1-ylethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72875686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).