N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide

C10H22BrNO2S — CID 103521803

IUPACN-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC(C)(C)CBr
InChIInChI=1S/C10H22BrNO2S/c1-9(2,3)6-7-15(13,14)12-10(4,5)8-11/h12H,6-8H2,1-5H3
InChIKeyPSEUXLUWQBLJCA-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds5

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

N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521803) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521803
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC(C)(C)CBr
InChIInChI=1S/C10H22BrNO2S/c1-9(2,3)6-7-15(13,14)12-10(4,5)8-11/h12H,6-8H2,1-5H3
InChIKeyPSEUXLUWQBLJCA-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521791
N-[2-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 106367683
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
3,3-dimethylbutane-1-sulfonic acid
CID 4293192
N-tert-butyl-2-methylsulfonylethanesulfonamide
CID 64591010
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103521803) is N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is PSEUXLUWQBLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-9(2,3)6-7-15(13,14)12-10(4,5)8-11/h12H,6-8H2,1-5H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).