N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide

C10H20BrNO2S — CID 105361772

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

About N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide

N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide (PubChem CID 105361772) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide
PubChem CID105361772
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide
SMILESCC(C)C(CBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20BrNO2S/c1-8(2)10(7-11)12-15(13,14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyPQTLWOBJAILIQI-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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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide (CID 105361772) is N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide is CC(C)C(CBr)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide?
The InChIKey is PQTLWOBJAILIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-8(2)10(7-11)12-15(13,14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide?
N-(1-bromo-3-methylbutan-2-yl)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-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105361772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).