1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

C11H23BrN2O2S — CID 106367701

IUPAC1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H23BrN2O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h9-11,13H,4-8H2,1-3H3
InChIKeyZHXZTZGLHMFXNY-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.11
Rot. Bonds5

About 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 106367701) has the molecular formula C11H23BrN2O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID106367701
Molecular FormulaC11H23BrN2O2S
Molecular Weight327.29 g/mol
Exact Mass326.07
IUPAC Name1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H23BrN2O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h9-11,13H,4-8H2,1-3H3
InChIKeyZHXZTZGLHMFXNY-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
CID 119986092
1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 114297366
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792
N-[2-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 106367683
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 106367701) is 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC(C)N(C)S(=O)(=O)NC1CCCCC1CBr.
What is the InChIKey of 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is ZHXZTZGLHMFXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 327.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 106367701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).