N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H20N2O5S — CID 895245

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O5S/c1-23(19,20)17(11-15(18)16-6-2-3-7-16)12-4-5-13-14(10-12)22-9-8-21-13/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyDCKUNHBXYDEQCV-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.85
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 895245) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID895245
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O5S/c1-23(19,20)17(11-15(18)16-6-2-3-7-16)12-4-5-13-14(10-12)22-9-8-21-13/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyDCKUNHBXYDEQCV-UHFFFAOYSA-N
XLogP0.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
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)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 895245) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is DCKUNHBXYDEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-23(19,20)17(11-15(18)16-6-2-3-7-16)12-4-5-13-14(10-12)22-9-8-21-13/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 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)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 895245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).