N-tert-butyl-N-ethylmethanesulfonamide

C7H17NO2S — CID 58540473

IUPACN-tert-butyl-N-ethylmethanesulfonamide
SMILESCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6-8(7(2,3)4)11(5,9)10/h6H2,1-5H3
InChIKeyYQLOHFHPJFTXQO-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds2

About N-tert-butyl-N-ethylmethanesulfonamide

N-tert-butyl-N-ethylmethanesulfonamide (PubChem CID 58540473) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-tert-butyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethylmethanesulfonamide
PubChem CID58540473
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-tert-butyl-N-ethylmethanesulfonamide
SMILESCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6-8(7(2,3)4)11(5,9)10/h6H2,1-5H3
InChIKeyYQLOHFHPJFTXQO-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
CID 88980763
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
CID 113068070
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 70799705
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
CID 113068071
2-N-(diethylsulfamoyl)-2-N-ethyl-2-methylpropane-1,2-diamine
CID 62010447
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
CID 159631086
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
N-ethyl-N-methoxymethanesulfonamide
CID 59939968

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethylmethanesulfonamide?
The IUPAC name of N-tert-butyl-N-ethylmethanesulfonamide (CID 58540473) is N-tert-butyl-N-ethylmethanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-ethylmethanesulfonamide?
The canonical SMILES for N-tert-butyl-N-ethylmethanesulfonamide is CCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-ethylmethanesulfonamide?
The InChIKey is YQLOHFHPJFTXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6-8(7(2,3)4)11(5,9)10/h6H2,1-5H3.
What are the key properties of N-tert-butyl-N-ethylmethanesulfonamide?
N-tert-butyl-N-ethylmethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 58540473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).