N-ethyl-N-(2-ethylhexyl)methanesulfonamide

C11H25NO2S — CID 91715482

IUPACN-ethyl-N-(2-ethylhexyl)methanesulfonamide
SMILESCCCCC(CC)CN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-8-9-11(6-2)10-12(7-3)15(4,13)14/h11H,5-10H2,1-4H3
InChIKeyNUOQSHFZRDDUPY-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-N-(2-ethylhexyl)methanesulfonamide

N-ethyl-N-(2-ethylhexyl)methanesulfonamide (PubChem CID 91715482) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylhexyl)methanesulfonamide
PubChem CID91715482
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-N-(2-ethylhexyl)methanesulfonamide
SMILESCCCCC(CC)CN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-8-9-11(6-2)10-12(7-3)15(4,13)14/h11H,5-10H2,1-4H3
InChIKeyNUOQSHFZRDDUPY-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylhexyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylhexyl)methanesulfonamide (CID 91715482) is N-ethyl-N-(2-ethylhexyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylhexyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylhexyl)methanesulfonamide is CCCCC(CC)CN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2-ethylhexyl)methanesulfonamide?
The InChIKey is NUOQSHFZRDDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-8-9-11(6-2)10-12(7-3)15(4,13)14/h11H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylhexyl)methanesulfonamide?
N-ethyl-N-(2-ethylhexyl)methanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylhexyl)methanesulfonamide is sourced from PubChem (CID 91715482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).