2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide

C15H24N2O3S — CID 84597830

IUPAC2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2
InChIInChI=1S/C15H24N2O3S/c1-12(2)9-17-10-13-5-4-6-15(14(13)11-17)16-21(18,19)8-7-20-3/h4-6,12,16H,7-11H2,1-3H3
InChIKeyMMPCCUYTRVMOHE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.05
Rot. Bonds7

About 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide

2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide (PubChem CID 84597830) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide
PubChem CID84597830
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2
InChIInChI=1S/C15H24N2O3S/c1-12(2)9-17-10-13-5-4-6-15(14(13)11-17)16-21(18,19)8-7-20-3/h4-6,12,16H,7-11H2,1-3H3
InChIKeyMMPCCUYTRVMOHE-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide (CID 84597830) is 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide is COCCS(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2.
What is the InChIKey of 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide?
The InChIKey is MMPCCUYTRVMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)9-17-10-13-5-4-6-15(14(13)11-17)16-21(18,19)8-7-20-3/h4-6,12,16H,7-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide?
2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide is sourced from PubChem (CID 84597830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).