N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide

C11H24BrNO2S — CID 103521837

IUPACN-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(Br)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyMNVBHAHHQHVHJY-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.76
Rot. Bonds6

About N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521837) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521837
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(Br)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyMNVBHAHHQHVHJY-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.76
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-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521837) is N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)C(Br)CNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is MNVBHAHHQHVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.76, 6 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)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).