2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine

C9H19BrN2O2S — CID 102638612

IUPAC2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
SMILESCN(C)S(=O)(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C9H19BrN2O2S/c1-11(2)15(13,14)12(3)9-7-5-4-6-8(9)10/h8-9H,4-7H2,1-3H3
InChIKeyGQLUZSBPMPXTLO-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.43
Rot. Bonds3

About 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine

2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine (PubChem CID 102638612) has the molecular formula C9H19BrN2O2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
PubChem CID102638612
Molecular FormulaC9H19BrN2O2S
Molecular Weight299.23 g/mol
Exact Mass298.04
IUPAC Name2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
SMILESCN(C)S(=O)(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C9H19BrN2O2S/c1-11(2)15(13,14)12(3)9-7-5-4-6-8(9)10/h8-9H,4-7H2,1-3H3
InChIKeyGQLUZSBPMPXTLO-UHFFFAOYSA-N
XLogP1.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine (CID 102638612) is 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine is CN(C)S(=O)(=O)N(C)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine?
The InChIKey is GQLUZSBPMPXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O2S/c1-11(2)15(13,14)12(3)9-7-5-4-6-8(9)10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine?
2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine has a molecular weight of 299.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).