N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide

C6H15NO2S2 — CID 134590503

IUPACN-ethyl-N-methyl-1-methylsulfanylethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(C)SC
InChIInChI=1S/C6H15NO2S2/c1-5-7(3)11(8,9)6(2)10-4/h6H,5H2,1-4H3
InChIKeyDRJJUCNDRGXNMV-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.98
Rot. Bonds4

About N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide

N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide (PubChem CID 134590503) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-methylsulfanylethanesulfonamide
PubChem CID134590503
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC NameN-ethyl-N-methyl-1-methylsulfanylethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(C)SC
InChIInChI=1S/C6H15NO2S2/c1-5-7(3)11(8,9)6(2)10-4/h6H,5H2,1-4H3
InChIKeyDRJJUCNDRGXNMV-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
CID 129166946
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
CID 97095663
N-(2-bromopropyl)-N-methylethanesulfonamide
CID 80671739
N-[ethyl(dimethyl)-λ4-sulfanyl]-N-methylethanamine
CID 166078818
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420
N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide
CID 129153519
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
CID 112666974
N,N-dimethylethanamine;2-methylpropane
CID 145274023
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide
CID 104556500
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide?
The IUPAC name of N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide (CID 134590503) is N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide?
The canonical SMILES for N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide is CCN(C)S(=O)(=O)C(C)SC.
What is the InChIKey of N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide?
The InChIKey is DRJJUCNDRGXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-5-7(3)11(8,9)6(2)10-4/h6H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide?
N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide has a molecular weight of 197.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-methylsulfanylethanesulfonamide is sourced from PubChem (CID 134590503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).