N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide

C9H19N3O2S — CID 155419856

IUPACN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide
SMILESCN1CCN2CC(NS(C)(=O)=O)CC2C1
InChIInChI=1S/C9H19N3O2S/c1-11-3-4-12-6-8(5-9(12)7-11)10-15(2,13)14/h8-10H,3-7H2,1-2H3
InChIKeyJLZMERZOGFLKBD-UHFFFAOYSA-N
MW233.34 g/mol
LogP-1.08
Rot. Bonds2

About N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide

N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide (PubChem CID 155419856) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide
PubChem CID155419856
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide
SMILESCN1CCN2CC(NS(C)(=O)=O)CC2C1
InChIInChI=1S/C9H19N3O2S/c1-11-3-4-12-6-8(5-9(12)7-11)10-15(2,13)14/h8-10H,3-7H2,1-2H3
InChIKeyJLZMERZOGFLKBD-UHFFFAOYSA-N
XLogP-1.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-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-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide (CID 155419856) is N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide is CN1CCN2CC(NS(C)(=O)=O)CC2C1.
What is the InChIKey of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide?
The InChIKey is JLZMERZOGFLKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-11-3-4-12-6-8(5-9(12)7-11)10-15(2,13)14/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide?
N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide has a molecular weight of 233.34 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)methanesulfonamide is sourced from PubChem (CID 155419856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).