4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide

C19H29N3O4S2 — CID 646909

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C19H29N3O4S2/c23-27(24,20-16-5-2-1-3-6-16)18-8-10-19(11-9-18)28(25,26)22-14-13-21-12-4-7-17(21)15-22/h8-11,16-17,20H,1-7,12-15H2
InChIKeyLODRYEJATFVXFB-UHFFFAOYSA-N
MW427.59 g/mol
LogP1.77
Rot. Bonds5

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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 646909) has the molecular formula C19H29N3O4S2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
PubChem CID646909
Molecular FormulaC19H29N3O4S2
Molecular Weight427.59 g/mol
Exact Mass427.16
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C19H29N3O4S2/c23-27(24,20-16-5-2-1-3-6-16)18-8-10-19(11-9-18)28(25,26)22-14-13-21-12-4-7-17(21)15-22/h8-11,16-17,20H,1-7,12-15H2
InChIKeyLODRYEJATFVXFB-UHFFFAOYSA-N
XLogP1.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide 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 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide (CID 646909) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is LODRYEJATFVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S2/c23-27(24,20-16-5-2-1-3-6-16)18-8-10-19(11-9-18)28(25,26)22-14-13-21-12-4-7-17(21)15-22/h8-11,16-17,20H,1-7,12-15H2.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 427.59 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 646909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).