propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate

C11H21N3O4S — CID 114464683

IUPACpropan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H21N3O4S/c1-7(2)18-11(15)14-19(16,17)13-10-5-8-3-4-9(6-10)12-8/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeyYSTIMUZFYQFLOQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.24
Rot. Bonds4

About propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate

propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate (PubChem CID 114464683) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
PubChem CID114464683
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Namepropan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H21N3O4S/c1-7(2)18-11(15)14-19(16,17)13-10-5-8-3-4-9(6-10)12-8/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeyYSTIMUZFYQFLOQ-UHFFFAOYSA-N
XLogP0.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
CID 114464755
propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114632202
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanamide
CID 115736861
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 119967715
3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
CID 119967738
propan-2-yl N-cyclooctylcarbamate
CID 116653938
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate (CID 114464683) is propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate is CC(C)OC(=O)NS(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate?
The InChIKey is YSTIMUZFYQFLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-7(2)18-11(15)14-19(16,17)13-10-5-8-3-4-9(6-10)12-8/h7-10,12-13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate?
propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate has a molecular weight of 291.37 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate is sourced from PubChem (CID 114464683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).