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

C10H22BrNO2S — CID 106169866

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-6-10(5,7-8-11)12-15(13,14)9(2,3)4/h12H,6-8H2,1-5H3
InChIKeyIDQIMBONWUBFAV-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.66
Rot. Bonds5

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

N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide (PubChem CID 106169866) 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-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide
PubChem CID106169866
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-6-10(5,7-8-11)12-15(13,14)9(2,3)4/h12H,6-8H2,1-5H3
InChIKeyIDQIMBONWUBFAV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-[3-(bromomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058401
N-(1-bromo-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106170056
N-(1,3-dibromo-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 81967252
N-(1,3-dibromo-2-methylpropan-2-yl)-2-methylpropane-2-sulfonamide
CID 81967367
N-(1,3-dibromo-2-methylpropan-2-yl)butane-1-sulfonamide
CID 81967570
1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 83086589
N-(1-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521779
N-[3-(bromomethyl)pentan-3-yl]-3,3-dimethylbutane-1-sulfonamide
CID 103521781
N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521803
N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521846
1-bromo-N-(3-methylpentan-3-yl)methanesulfonamide
CID 104099232
N-(1-bromo-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361766

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide (CID 106169866) is N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide is CCC(C)(CCBr)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is IDQIMBONWUBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-6-10(5,7-8-11)12-15(13,14)9(2,3)4/h12H,6-8H2,1-5H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide?
N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.66, 5 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-2-sulfonamide is sourced from PubChem (CID 106169866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).