3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide

C15H23N3O2S — CID 110634605

IUPAC3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C15H23N3O2S/c1-2-10-16-21(19,20)18-12-14-9-6-11-17(14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyILLWELAMACOEJM-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.71
Rot. Bonds5

About 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide

3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide (PubChem CID 110634605) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide
PubChem CID110634605
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C15H23N3O2S/c1-2-10-16-21(19,20)18-12-14-9-6-11-17(14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyILLWELAMACOEJM-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide?
The IUPAC name of 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide (CID 110634605) is 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide.
What is the SMILES notation for 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide?
The canonical SMILES for 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide is CCCNS(=O)(=O)N1CC2CCCN2C1c1ccccc1.
What is the InChIKey of 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide?
The InChIKey is ILLWELAMACOEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-10-16-21(19,20)18-12-14-9-6-11-17(14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3.
What are the key properties of 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide?
3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide is sourced from PubChem (CID 110634605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).