N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide

C11H25NO2S — CID 115613306

IUPACN-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2)9-12-15(13,14)8-7-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyXWRSSDWZQMXBLM-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.39
Rot. Bonds8

About N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide

N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide (PubChem CID 115613306) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
PubChem CID115613306
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2)9-12-15(13,14)8-7-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyXWRSSDWZQMXBLM-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 113317358
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
N-(2-ethylbutyl)propane-2-sulfonamide
CID 115613314
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
CID 114298827
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide (CID 115613306) is N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide is CCC(CC)CNS(=O)(=O)CCC(C)C.
What is the InChIKey of N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide?
The InChIKey is XWRSSDWZQMXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(6-2)9-12-15(13,14)8-7-10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide?
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 115613306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).