N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide

C17H26N2O4S — CID 90609074

About N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide (PubChem CID 90609074) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide
• PubChem CID: 90609074
• Molecular Formula: C17H26N2O4S
• Molecular Weight: 354.47 g/mol
• Exact Mass: 354.16
• IUPAC Name: N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide
• SMILES: CC(C)S(=O)(=O)NCCN1CCCC1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C17H26N2O4S/c1-13(2)24(20,21)18-7-9-19-8-3-4-15(19)14-5-6-16-17(12-14)23-11-10-22-16/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3
• InChIKey: DOJGNQIBRLFYPX-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.47
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide?

The IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide (CID 90609074) is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide.

What is the SMILES notation for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide?

The canonical SMILES for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCN1CCCC1c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide?

The InChIKey is DOJGNQIBRLFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)24(20,21)18-7-9-19-8-3-4-15(19)14-5-6-16-17(12-14)23-11-10-22-16/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3.

What are the key properties of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide?

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 90609074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).