N-methyl-2-methylsulfanylethanesulfonamide

C4H11NO2S2 — CID 138538365

IUPACN-methyl-2-methylsulfanylethanesulfonamide
SMILESCNS(=O)(=O)CCSC
InChIInChI=1S/C4H11NO2S2/c1-5-9(6,7)4-3-8-2/h5H,3-4H2,1-2H3
InChIKeyXAZXMTSXLPZYSP-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.10
Rot. Bonds4

About N-methyl-2-methylsulfanylethanesulfonamide

N-methyl-2-methylsulfanylethanesulfonamide (PubChem CID 138538365) has the molecular formula C4H11NO2S2 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylethanesulfonamide
PubChem CID138538365
Molecular FormulaC4H11NO2S2
Molecular Weight169.27 g/mol
Exact Mass169.02
IUPAC NameN-methyl-2-methylsulfanylethanesulfonamide
SMILESCNS(=O)(=O)CCSC
InChIInChI=1S/C4H11NO2S2/c1-5-9(6,7)4-3-8-2/h5H,3-4H2,1-2H3
InChIKeyXAZXMTSXLPZYSP-UHFFFAOYSA-N
XLogP-0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylethanesulfonamide?
The IUPAC name of N-methyl-2-methylsulfanylethanesulfonamide (CID 138538365) is N-methyl-2-methylsulfanylethanesulfonamide.
What is the SMILES notation for N-methyl-2-methylsulfanylethanesulfonamide?
The canonical SMILES for N-methyl-2-methylsulfanylethanesulfonamide is CNS(=O)(=O)CCSC.
What is the InChIKey of N-methyl-2-methylsulfanylethanesulfonamide?
The InChIKey is XAZXMTSXLPZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S2/c1-5-9(6,7)4-3-8-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylethanesulfonamide?
N-methyl-2-methylsulfanylethanesulfonamide has a molecular weight of 169.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylethanesulfonamide is sourced from PubChem (CID 138538365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).