N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide

C11H22BrNO2S — CID 107158183

IUPACN-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-9(2)7-10(12)8-13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyLLRWKBIYDRYCFP-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds6

About N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide

N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide (PubChem CID 107158183) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
PubChem CID107158183
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-9(2)7-10(12)8-13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyLLRWKBIYDRYCFP-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
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-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate
CID 110307436
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
CID 103493575
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
N-(2-bromo-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 107158209

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide (CID 107158183) is N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide is CC(C)CC(Br)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide?
The InChIKey is LLRWKBIYDRYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-9(2)7-10(12)8-13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide?
N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide is sourced from PubChem (CID 107158183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).