N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide

C10H22BrNO2S — CID 106169875

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H22BrNO2S/c1-5-10(4,6-7-11)12-15(13,14)8-9(2)3/h9,12H,5-8H2,1-4H3
InChIKeyANHSGQCGLNNHOM-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds7

About N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide

N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide (PubChem CID 106169875) 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)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide
PubChem CID106169875
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H22BrNO2S/c1-5-10(4,6-7-11)12-15(13,14)8-9(2)3/h9,12H,5-8H2,1-4H3
InChIKeyANHSGQCGLNNHOM-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.52
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-methylpentan-3-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide (CID 106169875) is N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide is CCC(C)(CCBr)NS(=O)(=O)CC(C)C.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is ANHSGQCGLNNHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-5-10(4,6-7-11)12-15(13,14)8-9(2)3/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide?
N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 7 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)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106169875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).