1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide

C11H22BrNO2S — CID 103968260

IUPAC1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CBr)CC(C)(C)C1
InChIInChI=1S/C11H22BrNO2S/c1-10(2)5-9(6-11(3,4)7-10)13-16(14,15)8-12/h9,13H,5-8H2,1-4H3
InChIKeyXODQGINDHCOTPL-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.86
Rot. Bonds3

About 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide

1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide (PubChem CID 103968260) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide
PubChem CID103968260
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CBr)CC(C)(C)C1
InChIInChI=1S/C11H22BrNO2S/c1-10(2)5-9(6-11(3,4)7-10)13-16(14,15)8-12/h9,13H,5-8H2,1-4H3
InChIKeyXODQGINDHCOTPL-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide (CID 103968260) is 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)CBr)CC(C)(C)C1.
What is the InChIKey of 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide?
The InChIKey is XODQGINDHCOTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-10(2)5-9(6-11(3,4)7-10)13-16(14,15)8-12/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide?
1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3,3,5,5-tetramethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 103968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).