N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide

C10H20BrNO2S — CID 105361829

IUPACN-(2-bromo-3-methylbutyl)cyclopentanesulfonamide
SMILESCC(C)C(Br)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20BrNO2S/c1-8(2)10(11)7-12-15(13,14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyKCPFRJZUFZZZGP-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds5

About N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide

N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide (PubChem CID 105361829) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylbutyl)cyclopentanesulfonamide
PubChem CID105361829
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromo-3-methylbutyl)cyclopentanesulfonamide
SMILESCC(C)C(Br)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20BrNO2S/c1-8(2)10(11)7-12-15(13,14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyKCPFRJZUFZZZGP-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
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-bromo-3-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116246324
N-(3-bromopropyl)-3-methylbutane-1-sulfonamide
CID 63857861
N-(2-bromocyclopentyl)butane-1-sulfonamide
CID 80661541
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-(2-bromocyclopentyl)propane-2-sulfonamide
CID 80662342
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
CID 80663045
N-(2-bromocyclopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 80663049
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
CID 80663053
N-(4-bromobutan-2-yl)-3-methylbutane-1-sulfonamide
CID 83180557
N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521327
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521784

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide (CID 105361829) is N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide is CC(C)C(Br)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide?
The InChIKey is KCPFRJZUFZZZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-8(2)10(11)7-12-15(13,14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide?
N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide is sourced from PubChem (CID 105361829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).