1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide

C9H15BrN2O2S — CID 83083803

IUPAC1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CBr)CCCCCC1
InChIInChI=1S/C9H15BrN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2
InChIKeyMUEKBUUYMXJPPU-UHFFFAOYSA-N
MW295.20 g/mol
LogP1.87
Rot. Bonds3

About 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide

1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide (PubChem CID 83083803) has the molecular formula C9H15BrN2O2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
PubChem CID83083803
Molecular FormulaC9H15BrN2O2S
Molecular Weight295.20 g/mol
Exact Mass294.00
IUPAC Name1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CBr)CCCCCC1
InChIInChI=1S/C9H15BrN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2
InChIKeyMUEKBUUYMXJPPU-UHFFFAOYSA-N
XLogP1.87
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 114959123
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
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1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
CID 79017598
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide (CID 83083803) is 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide is N#CC1(NS(=O)(=O)CBr)CCCCCC1.
What is the InChIKey of 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide?
The InChIKey is MUEKBUUYMXJPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2.
What are the key properties of 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide?
1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide has a molecular weight of 295.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide is sourced from PubChem (CID 83083803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).