5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide

C9H17N3O3S — CID 70295860

IUPAC5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide
SMILESCCC(=O)C1CC2NCCC2N1S(N)(=O)=O
InChIInChI=1S/C9H17N3O3S/c1-2-9(13)8-5-6-7(3-4-11-6)12(8)16(10,14)15/h6-8,11H,2-5H2,1H3,(H2,10,14,15)
InChIKeyHWQZEHYLERTCNB-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.03
Rot. Bonds3

About 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide

5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide (PubChem CID 70295860) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide.

Molecular Properties

Compound Name5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide
PubChem CID70295860
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide
SMILESCCC(=O)C1CC2NCCC2N1S(N)(=O)=O
InChIInChI=1S/C9H17N3O3S/c1-2-9(13)8-5-6-7(3-4-11-6)12(8)16(10,14)15/h6-8,11H,2-5H2,1H3,(H2,10,14,15)
InChIKeyHWQZEHYLERTCNB-UHFFFAOYSA-N
XLogP-1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide?
The IUPAC name of 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide (CID 70295860) is 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide.
What is the SMILES notation for 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide?
The canonical SMILES for 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide is CCC(=O)C1CC2NCCC2N1S(N)(=O)=O.
What is the InChIKey of 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide?
The InChIKey is HWQZEHYLERTCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-2-9(13)8-5-6-7(3-4-11-6)12(8)16(10,14)15/h6-8,11H,2-5H2,1H3,(H2,10,14,15).
What are the key properties of 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide?
5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-sulfonamide is sourced from PubChem (CID 70295860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).