N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide

C8H18BrNO2S — CID 114298181

IUPACN-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide
SMILESCC(CBr)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18BrNO2S/c1-7(5-9)6-10-13(11,12)8(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyOBMCGBNQAQXFOK-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.74
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide

N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide (PubChem CID 114298181) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide
PubChem CID114298181
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide
SMILESCC(CBr)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18BrNO2S/c1-7(5-9)6-10-13(11,12)8(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyOBMCGBNQAQXFOK-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.74
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-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide (CID 114298181) is N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide is CC(CBr)CNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide?
The InChIKey is OBMCGBNQAQXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-7(5-9)6-10-13(11,12)8(2,3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide?
N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide has a molecular weight of 272.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 114298181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).