N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide

C11H20BrNO2S — CID 106367459

IUPACN-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-8-9-4-3-7-11(9)13-16(14,15)10-5-1-2-6-10/h9-11,13H,1-8H2
InChIKeyXMNKKMDVWJUORS-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide

N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide (PubChem CID 106367459) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
PubChem CID106367459
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-8-9-4-3-7-11(9)13-16(14,15)10-5-1-2-6-10/h9-11,13H,1-8H2
InChIKeyXMNKKMDVWJUORS-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
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

N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367493
N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 63373712
N-(2-methylcyclopentyl)ethanesulfonamide
CID 63373713
N-(2-methylcyclopentyl)propane-2-sulfonamide
CID 63373714
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-(3-methylcyclopentyl)cyclopentanesulfonamide
CID 105058731
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361775
N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
CID 105361786
N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide
CID 105361787
N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361797
N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
CID 106118346

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide (CID 106367459) is N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide is O=S(=O)(NC1CCCC1CBr)C1CCCC1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The InChIKey is XMNKKMDVWJUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c12-8-9-4-3-7-11(9)13-16(14,15)10-5-1-2-6-10/h9-11,13H,1-8H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide is sourced from PubChem (CID 106367459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).