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

C10H21N3O3S — CID 72849662

IUPACN-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1N
InChIInChI=1S/C10H21N3O3S/c1-3-4-8-6-13(7-9(8)11)10(14)5-12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyKLWQDPPLMLTIAE-IUCAKERBSA-N
MW263.36 g/mol
LogP-0.88
Rot. Bonds5

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

N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 72849662) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID72849662
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1N
InChIInChI=1S/C10H21N3O3S/c1-3-4-8-6-13(7-9(8)11)10(14)5-12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyKLWQDPPLMLTIAE-IUCAKERBSA-N
XLogP-0.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 72849662) is N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CCC[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1N.
What is the InChIKey of N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is KLWQDPPLMLTIAE-IUCAKERBSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-3-4-8-6-13(7-9(8)11)10(14)5-12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 72849662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).