N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide

C13H20N4O3S — CID 156603641

IUPACN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyIYMCWLGWBZTWBV-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.25
Rot. Bonds5

About N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide

N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 156603641) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID156603641
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyIYMCWLGWBZTWBV-UHFFFAOYSA-N
XLogP0.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-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-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 156603641) is N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide is COc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1.
What is the InChIKey of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IYMCWLGWBZTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 156603641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).