N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide

C13H18N2O4S — CID 24709184

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)C1CCCNC1
InChIInChI=1S/C13H18N2O4S/c16-20(17,11-2-1-5-14-9-11)15-10-3-4-12-13(8-10)19-7-6-18-12/h3-4,8,11,14-15H,1-2,5-7,9H2
InChIKeyULSWOULNHVYQJK-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.95
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide (PubChem CID 24709184) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide
PubChem CID24709184
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)C1CCCNC1
InChIInChI=1S/C13H18N2O4S/c16-20(17,11-2-1-5-14-9-11)15-10-3-4-12-13(8-10)19-7-6-18-12/h3-4,8,11,14-15H,1-2,5-7,9H2
InChIKeyULSWOULNHVYQJK-UHFFFAOYSA-N
XLogP0.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide (CID 24709184) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)C1CCCNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide?
The InChIKey is ULSWOULNHVYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-20(17,11-2-1-5-14-9-11)15-10-3-4-12-13(8-10)19-7-6-18-12/h3-4,8,11,14-15H,1-2,5-7,9H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 24709184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).