N-(4,4,5,5-tetramethylhexyl)methanesulfonamide

C11H25NO2S — CID 20706667

IUPACN-(4,4,5,5-tetramethylhexyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(2,3)11(4,5)8-7-9-12-15(6,13)14/h12H,7-9H2,1-6H3
InChIKeyWBRFKADMKHTUDC-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.39
Rot. Bonds5

About N-(4,4,5,5-tetramethylhexyl)methanesulfonamide

N-(4,4,5,5-tetramethylhexyl)methanesulfonamide (PubChem CID 20706667) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(4,4,5,5-tetramethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,4,5,5-tetramethylhexyl)methanesulfonamide
PubChem CID20706667
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(4,4,5,5-tetramethylhexyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(2,3)11(4,5)8-7-9-12-15(6,13)14/h12H,7-9H2,1-6H3
InChIKeyWBRFKADMKHTUDC-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide
CID 9881146
N-[2-[1-(aminomethyl)-3,3-dimethylcyclopentyl]ethyl]methanesulfonamide
CID 9942933
N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
CID 20657896
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)pentan-1-amine
CID 20706633
N-(4,4,5-trimethylhexyl)methanesulfonamide
CID 20706669
N-(5,5,6,6-tetramethylheptyl)methanesulfonamide
CID 20706688
N-(5,5,6-trimethylheptyl)methanesulfonamide
CID 20706689
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(3,3,4,4-tetramethylpentyl)methanesulfonamide
CID 20774377
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366

Frequently Asked Questions

What is the IUPAC name of N-(4,4,5,5-tetramethylhexyl)methanesulfonamide?
The IUPAC name of N-(4,4,5,5-tetramethylhexyl)methanesulfonamide (CID 20706667) is N-(4,4,5,5-tetramethylhexyl)methanesulfonamide.
What is the SMILES notation for N-(4,4,5,5-tetramethylhexyl)methanesulfonamide?
The canonical SMILES for N-(4,4,5,5-tetramethylhexyl)methanesulfonamide is CC(C)(C)C(C)(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-(4,4,5,5-tetramethylhexyl)methanesulfonamide?
The InChIKey is WBRFKADMKHTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2,3)11(4,5)8-7-9-12-15(6,13)14/h12H,7-9H2,1-6H3.
What are the key properties of N-(4,4,5,5-tetramethylhexyl)methanesulfonamide?
N-(4,4,5,5-tetramethylhexyl)methanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5-tetramethylhexyl)methanesulfonamide is sourced from PubChem (CID 20706667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).