5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide

C9H17N3O3S — CID 70310087

IUPAC5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide
SMILESCCCNS(=O)(=O)N1C(=O)CC2NCCC21
InChIInChI=1S/C9H17N3O3S/c1-2-4-11-16(14,15)12-8-3-5-10-7(8)6-9(12)13/h7-8,10-11H,2-6H2,1H3
InChIKeyFUNLDJGHLOISIN-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.81
Rot. Bonds4

About 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide

5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide (PubChem CID 70310087) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide.

Molecular Properties

Compound Name5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide
PubChem CID70310087
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide
SMILESCCCNS(=O)(=O)N1C(=O)CC2NCCC21
InChIInChI=1S/C9H17N3O3S/c1-2-4-11-16(14,15)12-8-3-5-10-7(8)6-9(12)13/h7-8,10-11H,2-6H2,1H3
InChIKeyFUNLDJGHLOISIN-UHFFFAOYSA-N
XLogP-0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide with MolForge

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Related Compounds

4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 57184975
4-methylsulfonyl-6-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 140994862
4-methylsulfonyl-6-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;dihydrochloride
CID 141009121
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
(3aS,6aS)-4-[(2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 155875079
2,6-dimethyl-N-propylpiperazine-1-sulfonamide
CID 114810806
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
CID 114811018
4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
CID 114809776
2-cyano-N-propylpyrrolidine-1-sulfonamide
CID 114807904
6-methyl-4-methylsulfonyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 20645487
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide?
The IUPAC name of 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide (CID 70310087) is 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide.
What is the SMILES notation for 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide?
The canonical SMILES for 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide is CCCNS(=O)(=O)N1C(=O)CC2NCCC21.
What is the InChIKey of 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide?
The InChIKey is FUNLDJGHLOISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-2-4-11-16(14,15)12-8-3-5-10-7(8)6-9(12)13/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide?
5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide is sourced from PubChem (CID 70310087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).