N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide

C11H25NO4S2 — CID 118241759

IUPACN-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide
SMILESCCOC(CN(C)S(C)(=O)=O)C(C)(C)CS(C)=O
InChIInChI=1S/C11H25NO4S2/c1-7-16-10(8-12(4)18(6,14)15)11(2,3)9-17(5)13/h10H,7-9H2,1-6H3
InChIKeyWWTQQSJUXMCWBD-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.69
Rot. Bonds8

About N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide

N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide (PubChem CID 118241759) has the molecular formula C11H25NO4S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide
PubChem CID118241759
Molecular FormulaC11H25NO4S2
Molecular Weight299.46 g/mol
Exact Mass299.12
IUPAC NameN-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide
SMILESCCOC(CN(C)S(C)(=O)=O)C(C)(C)CS(C)=O
InChIInChI=1S/C11H25NO4S2/c1-7-16-10(8-12(4)18(6,14)15)11(2,3)9-17(5)13/h10H,7-9H2,1-6H3
InChIKeyWWTQQSJUXMCWBD-UHFFFAOYSA-N
XLogP0.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
CID 118241749
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241803
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
CID 118241937
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
2-ethoxy-N-ethyl-N,3,3-trimethylbutan-1-amine
CID 146577088
N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
CID 88991732
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
[(2S)-2-[(2S)-3,3-dimethylpentan-2-yl]oxy-3-[methyl(methylsulfonyl)amino]propyl] 2-(dimethylamino)acetate
CID 118241677
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
2-(dimethylamino)-N-[1-[[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 21335395

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide (CID 118241759) is N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide is CCOC(CN(C)S(C)(=O)=O)C(C)(C)CS(C)=O.
What is the InChIKey of N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide?
The InChIKey is WWTQQSJUXMCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S2/c1-7-16-10(8-12(4)18(6,14)15)11(2,3)9-17(5)13/h10H,7-9H2,1-6H3.
What are the key properties of N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide?
N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide has a molecular weight of 299.46 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 118241759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).