N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide

C15H17NO4S — CID 70873886

IUPACN-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide
SMILESCCN(C1OC=CC2C1=COc1ccccc12)S(C)(=O)=O
InChIInChI=1S/C15H17NO4S/c1-3-16(21(2,17)18)15-13-10-20-14-7-5-4-6-12(14)11(13)8-9-19-15/h4-11,15H,3H2,1-2H3
InChIKeyAXIQEZWHAXQHSG-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.20
Rot. Bonds3

About N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide

N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide (PubChem CID 70873886) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide
PubChem CID70873886
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide
SMILESCCN(C1OC=CC2C1=COc1ccccc12)S(C)(=O)=O
InChIInChI=1S/C15H17NO4S/c1-3-16(21(2,17)18)15-13-10-20-14-7-5-4-6-12(14)11(13)8-9-19-15/h4-11,15H,3H2,1-2H3
InChIKeyAXIQEZWHAXQHSG-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide (CID 70873886) is N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide is CCN(C1OC=CC2C1=COc1ccccc12)S(C)(=O)=O.
What is the InChIKey of N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide?
The InChIKey is AXIQEZWHAXQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-16(21(2,17)18)15-13-10-20-14-7-5-4-6-12(14)11(13)8-9-19-15/h4-11,15H,3H2,1-2H3.
What are the key properties of N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide?
N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,10b-dihydropyrano[3,4-c]chromen-4-yl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 70873886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).