N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide

C9H18BrNO2S — CID 114297085

IUPACN-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C9H18BrNO2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8H2,1H3
InChIKeyHMSJXKZLYIBXLC-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide

N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide (PubChem CID 114297085) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide
PubChem CID114297085
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C9H18BrNO2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8H2,1H3
InChIKeyHMSJXKZLYIBXLC-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.02
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-Propanesulfonamide, 3-bromo-N-(1,1,3,3-tetramethylbutyl)-
CID 99367
N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060155
N-(1-ethylcyclopentyl)ethanesulfonamide
CID 128544368
N-(1-methylcyclopentyl)propane-2-sulfonamide
CID 64586512
N-(1-methylcyclopentyl)ethanesulfonamide
CID 64586513
N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 64586711
N-[1-(bromomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
CID 82842892
1-bromo-N-(1-methylcyclopentyl)methanesulfonamide
CID 83085957
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-(1-bromo-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361766

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide (CID 114297085) is N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide?
The InChIKey is HMSJXKZLYIBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide?
N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide is sourced from PubChem (CID 114297085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).