N-ethyl-N-octylmethanesulfonamide

C11H25NO2S — CID 91715476

IUPACN-ethyl-N-octylmethanesulfonamide
SMILESCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-6-7-8-9-10-11-12(5-2)15(3,13)14/h4-11H2,1-3H3
InChIKeyMMZUDBJPQUGONP-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.63
Rot. Bonds9

About N-ethyl-N-octylmethanesulfonamide

N-ethyl-N-octylmethanesulfonamide (PubChem CID 91715476) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-N-octylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-octylmethanesulfonamide
PubChem CID91715476
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-N-octylmethanesulfonamide
SMILESCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-6-7-8-9-10-11-12(5-2)15(3,13)14/h4-11H2,1-3H3
InChIKeyMMZUDBJPQUGONP-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Zwittergent 310
CID 161111
Methanesulfonamide, N,N-dibutyl-
CID 199294
N-Octylsulfobetaine
CID 3084219
cis-2,6-Dimethyl-1-methyl sulfonyl piperidine
CID 44245252
N-cycloheptyl-N-methylmethanesulfonamide
CID 53516552
Isothiazolidine, 2-dodecyl-, 1,1-dioxide
CID 52613
1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
Methanesulfonamide, N,N-dihexyl-
CID 533126
Methanesulfonamide, N,N-dioctyl-
CID 533130
Methanesulfonamide, N,N-didecyl-
CID 533132
Methylsulphonamide, N-ethyl-N-pentyl-
CID 90181700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-octylmethanesulfonamide?
The IUPAC name of N-ethyl-N-octylmethanesulfonamide (CID 91715476) is N-ethyl-N-octylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-octylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-octylmethanesulfonamide is CCCCCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-octylmethanesulfonamide?
The InChIKey is MMZUDBJPQUGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-6-7-8-9-10-11-12(5-2)15(3,13)14/h4-11H2,1-3H3.
What are the key properties of N-ethyl-N-octylmethanesulfonamide?
N-ethyl-N-octylmethanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-octylmethanesulfonamide is sourced from PubChem (CID 91715476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).