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

C12H21N5O2S — CID 72885861

IUPACN-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-3-4-9-7-17(8-10(9)16-20(2,18)19)12-14-6-5-11(13)15-12/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H2,13,14,15)/t9-,10-/m0/s1
InChIKeyUDHDLWAMGRJKAF-UWVGGRQHSA-N
MW299.40 g/mol
LogP0.21
Rot. Bonds5

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

N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72885861) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72885861
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-3-4-9-7-17(8-10(9)16-20(2,18)19)12-14-6-5-11(13)15-12/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H2,13,14,15)/t9-,10-/m0/s1
InChIKeyUDHDLWAMGRJKAF-UWVGGRQHSA-N
XLogP0.21
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]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-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72885861) is N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UDHDLWAMGRJKAF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-4-9-7-17(8-10(9)16-20(2,18)19)12-14-6-5-11(13)15-12/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H2,13,14,15)/t9-,10-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72885861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).