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

C10H20BrNO2S — CID 114297145

IUPACN-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-3-8-15(13,14)12-10(9-11)6-4-5-7-10/h12H,2-9H2,1H3
InChIKeyJQEJPVCSROUFBX-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.41
Rot. Bonds6

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

N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide (PubChem CID 114297145) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide
PubChem CID114297145
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-3-8-15(13,14)12-10(9-11)6-4-5-7-10/h12H,2-9H2,1H3
InChIKeyJQEJPVCSROUFBX-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.41
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]butane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide (CID 114297145) is N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide?
The InChIKey is JQEJPVCSROUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-3-8-15(13,14)12-10(9-11)6-4-5-7-10/h12H,2-9H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide?
N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide is sourced from PubChem (CID 114297145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).