1-bromo-N-cycloheptyl-N-methylmethanesulfonamide

C9H18BrNO2S — CID 83092714

IUPAC1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-11(14(12,13)8-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyYEBWEOLEXZGUQN-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.32
Rot. Bonds3

About 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide

1-bromo-N-cycloheptyl-N-methylmethanesulfonamide (PubChem CID 83092714) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
PubChem CID83092714
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-11(14(12,13)8-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyYEBWEOLEXZGUQN-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.32
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 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide?
The IUPAC name of 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide (CID 83092714) is 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide is CN(C1CCCCCC1)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide?
The InChIKey is YEBWEOLEXZGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-11(14(12,13)8-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide?
1-bromo-N-cycloheptyl-N-methylmethanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-cycloheptyl-N-methylmethanesulfonamide is sourced from PubChem (CID 83092714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).