N-methylmethanesulfonamide;1-methylsulfonylethane

C5H15NO4S2 — CID 159403209

IUPACN-methylmethanesulfonamide;1-methylsulfonylethane
SMILESCCS(C)(=O)=O.CNS(C)(=O)=O
InChIInChI=1S/C3H8O2S.C2H7NO2S/c2*1-3-6(2,4)5/h3H2,1-2H3;3H,1-2H3
InChIKeyLNPSWJSRCLXORH-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.78
Rot. Bonds2

About N-methylmethanesulfonamide;1-methylsulfonylethane

N-methylmethanesulfonamide;1-methylsulfonylethane (PubChem CID 159403209) has the molecular formula C5H15NO4S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methylmethanesulfonamide;1-methylsulfonylethane.

Molecular Properties

Compound NameN-methylmethanesulfonamide;1-methylsulfonylethane
PubChem CID159403209
Molecular FormulaC5H15NO4S2
Molecular Weight217.31 g/mol
Exact Mass217.04
IUPAC NameN-methylmethanesulfonamide;1-methylsulfonylethane
SMILESCCS(C)(=O)=O.CNS(C)(=O)=O
InChIInChI=1S/C3H8O2S.C2H7NO2S/c2*1-3-6(2,4)5/h3H2,1-2H3;3H,1-2H3
InChIKeyLNPSWJSRCLXORH-UHFFFAOYSA-N
XLogP-0.78
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanesulfonamide;1-methylsulfonylethane?
The IUPAC name of N-methylmethanesulfonamide;1-methylsulfonylethane (CID 159403209) is N-methylmethanesulfonamide;1-methylsulfonylethane.
What is the SMILES notation for N-methylmethanesulfonamide;1-methylsulfonylethane?
The canonical SMILES for N-methylmethanesulfonamide;1-methylsulfonylethane is CCS(C)(=O)=O.CNS(C)(=O)=O.
What is the InChIKey of N-methylmethanesulfonamide;1-methylsulfonylethane?
The InChIKey is LNPSWJSRCLXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S.C2H7NO2S/c2*1-3-6(2,4)5/h3H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanesulfonamide;1-methylsulfonylethane?
N-methylmethanesulfonamide;1-methylsulfonylethane has a molecular weight of 217.31 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanesulfonamide;1-methylsulfonylethane is sourced from PubChem (CID 159403209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).