N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide

C15H33NO2S — CID 88980529

IUPACN-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide
SMILESCCC(CCCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-9-13(14(2,3)4)11-10-12-16(15(5,6)7)19(8,17)18/h13H,9-12H2,1-8H3
InChIKeyDJAGNHJEXFMPJE-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.90
Rot. Bonds6

About N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide

N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide (PubChem CID 88980529) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide
PubChem CID88980529
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide
SMILESCCC(CCCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-9-13(14(2,3)4)11-10-12-16(15(5,6)7)19(8,17)18/h13H,9-12H2,1-8H3
InChIKeyDJAGNHJEXFMPJE-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide (CID 88980529) is N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide is CCC(CCCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide?
The InChIKey is DJAGNHJEXFMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-9-13(14(2,3)4)11-10-12-16(15(5,6)7)19(8,17)18/h13H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide?
N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide has a molecular weight of 291.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide is sourced from PubChem (CID 88980529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).