methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate

C11H15N3O4S — CID 105357743

IUPACmethyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C11H15N3O4S/c1-18-11(15)14-19(16,17)13-5-8-2-3-9-6-12-7-10(9)4-8/h2-4,12-13H,5-7H2,1H3,(H,14,15)
InChIKeySNGXCMZEAABOOL-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.02
Rot. Bonds4

About methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate

methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate (PubChem CID 105357743) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
PubChem CID105357743
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C11H15N3O4S/c1-18-11(15)14-19(16,17)13-5-8-2-3-9-6-12-7-10(9)4-8/h2-4,12-13H,5-7H2,1H3,(H,14,15)
InChIKeySNGXCMZEAABOOL-UHFFFAOYSA-N
XLogP-0.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)acetate
CID 105357735
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoylmethyl)benzoate
CID 120724118
methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate
CID 120723866
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethoxybenzenesulfonamide
CID 120724219
methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-3-methoxybenzoate
CID 120723960
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
ethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)benzoate
CID 120724132
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694270
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 120724098
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
CID 120724178

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate?
The IUPAC name of methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate (CID 105357743) is methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCc1ccc2c(c1)CNC2.
What is the InChIKey of methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate?
The InChIKey is SNGXCMZEAABOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-18-11(15)14-19(16,17)13-5-8-2-3-9-6-12-7-10(9)4-8/h2-4,12-13H,5-7H2,1H3,(H,14,15).
What are the key properties of methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate?
methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate has a molecular weight of 285.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate is sourced from PubChem (CID 105357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).