N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide

C10H22BrNO2S — CID 106169847

IUPACN-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(CC)CCBr
InChIInChI=1S/C10H22BrNO2S/c1-4-6-9-15(13,14)12-10(3,5-2)7-8-11/h12H,4-9H2,1-3H3
InChIKeySVGVHZSPAFTCJY-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.66
Rot. Bonds8

About N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide

N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide (PubChem CID 106169847) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide
PubChem CID106169847
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(CC)CCBr
InChIInChI=1S/C10H22BrNO2S/c1-4-6-9-15(13,14)12-10(3,5-2)7-8-11/h12H,4-9H2,1-3H3
InChIKeySVGVHZSPAFTCJY-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide (CID 106169847) is N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)(CC)CCBr.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide?
The InChIKey is SVGVHZSPAFTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-4-6-9-15(13,14)12-10(3,5-2)7-8-11/h12H,4-9H2,1-3H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide?
N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 106169847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).