propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate

C11H23N3O4S — CID 114464755

IUPACpropan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-10-7-5-3-4-6-9(10)12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyDUDOSEQFQHVNMV-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.62
Rot. Bonds4

About propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate

propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate (PubChem CID 114464755) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
PubChem CID114464755
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namepropan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-10-7-5-3-4-6-9(10)12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyDUDOSEQFQHVNMV-UHFFFAOYSA-N
XLogP0.62
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
CID 114464683
2-[(2-aminocyclopentyl)sulfamoyl]propanoic acid
CID 63252218
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
N-(2-aminocycloheptyl)-2-cyclopropylpropanamide
CID 83149684
propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114632202
propan-2-yl N-cyclooctylcarbamate
CID 116653938
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444350

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate (CID 114464755) is propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1CCCCCC1N.
What is the InChIKey of propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate?
The InChIKey is DUDOSEQFQHVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-10-7-5-3-4-6-9(10)12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate has a molecular weight of 293.39 g/mol, XLogP of 0.62, 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-[(2-aminocycloheptyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).