5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole

C13H21N3O2S — CID 105357723

IUPAC5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
SMILESCC(C)N(C)S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(3)19(17,18)15-7-11-4-5-12-8-14-9-13(12)6-11/h4-6,10,14-15H,7-9H2,1-3H3
InChIKeyFQSWWXVEQDDBGV-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.96
Rot. Bonds5

About 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole

5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole (PubChem CID 105357723) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
PubChem CID105357723
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
SMILESCC(C)N(C)S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(3)19(17,18)15-7-11-4-5-12-8-14-9-13(12)6-11/h4-6,10,14-15H,7-9H2,1-3H3
InChIKeyFQSWWXVEQDDBGV-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole (CID 105357723) is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole is CC(C)N(C)S(=O)(=O)NCc1ccc2c(c1)CNC2.
What is the InChIKey of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is FQSWWXVEQDDBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)16(3)19(17,18)15-7-11-4-5-12-8-14-9-13(12)6-11/h4-6,10,14-15H,7-9H2,1-3H3.
What are the key properties of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole?
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 283.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 105357723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).