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

C10H21BrN2O2S — CID 114297366

IUPAC1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1Br
InChIInChI=1S/C10H21BrN2O2S/c1-8(2)13(3)16(14,15)12-10-7-5-4-6-9(10)11/h8-10,12H,4-7H2,1-3H3
InChIKeyKNXARIABWHJYMK-UHFFFAOYSA-N
MW313.26 g/mol
LogP1.87
Rot. Bonds4

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

1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 114297366) has the molecular formula C10H21BrN2O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID114297366
Molecular FormulaC10H21BrN2O2S
Molecular Weight313.26 g/mol
Exact Mass312.05
IUPAC Name1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1Br
InChIInChI=1S/C10H21BrN2O2S/c1-8(2)13(3)16(14,15)12-10-7-5-4-6-9(10)11/h8-10,12H,4-7H2,1-3H3
InChIKeyKNXARIABWHJYMK-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 51.87
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-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 106367701
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
CID 119986092
1-amino-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 61455775
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
CID 114297347
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947723
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 114297366) is 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC(C)N(C)S(=O)(=O)NC1CCCCC1Br.
What is the InChIKey of 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is KNXARIABWHJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2S/c1-8(2)13(3)16(14,15)12-10-7-5-4-6-9(10)11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 313.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 114297366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).