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

C10H22BrNO2S — CID 103521801

IUPACN-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CBr)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-9(7-11)8-12-15(13,14)6-5-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyHPUJSIVJRRMABN-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.37
Rot. Bonds6

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

N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521801) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521801
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CBr)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-9(7-11)8-12-15(13,14)6-5-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyHPUJSIVJRRMABN-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.37
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-(4-bromo-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058816
N-(4-bromo-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114149794
N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide
CID 59292348
N-(3-bromopropyl)-2-methylpropane-1-sulfonamide
CID 64478004
N-(3-bromopropyl)butane-1-sulfonamide
CID 43133752
N-(2-bromoethyl)-3-methylbutane-1-sulfonamide
CID 63857860
N-(3-bromopropyl)-3-methylbutane-1-sulfonamide
CID 63857861
N-(2-bromoethyl)-2-methylpropane-1-sulfonamide
CID 64477803
N-(2-bromoethyl)-2,2-dimethylpropane-1-sulfonamide
CID 64477804
N-(3-bromopropyl)-2,2-dimethylpropane-1-sulfonamide
CID 64478005
N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide
CID 83178279
N-(4-bromobutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 83178687

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521801) is N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide is CC(CBr)CNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is HPUJSIVJRRMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-9(7-11)8-12-15(13,14)6-5-10(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.37, 6 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)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).