N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

C14H20N6O3S — CID 95107857

IUPACN-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCOc1nccnc1N1CC[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C14H20N6O3S/c1-18-9-12(17-10-18)24(21,22)19(2)11-4-7-20(8-11)13-14(23-3)16-6-5-15-13/h5-6,9-11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyFSJRJUPLLGYMOA-LLVKDONJSA-N
MW352.42 g/mol
LogP0.12
Rot. Bonds5

About N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 95107857) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID95107857
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCOc1nccnc1N1CC[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C14H20N6O3S/c1-18-9-12(17-10-18)24(21,22)19(2)11-4-7-20(8-11)13-14(23-3)16-6-5-15-13/h5-6,9-11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyFSJRJUPLLGYMOA-LLVKDONJSA-N
XLogP0.12
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide 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)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (CID 95107857) is N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is COc1nccnc1N1CC[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is FSJRJUPLLGYMOA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-18-9-12(17-10-18)24(21,22)19(2)11-4-7-20(8-11)13-14(23-3)16-6-5-15-13/h5-6,9-11H,4,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 95107857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).