N-methyl-2-(methylamino)ethanesulfonamide

C4H12N2O2S — CID 54452961

IUPACN-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NC
InChIInChI=1S/C4H12N2O2S/c1-5-3-4-9(7,8)6-2/h5-6H,3-4H2,1-2H3
InChIKeyXYZQVHXHCRTPLA-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.25
Rot. Bonds4

About N-methyl-2-(methylamino)ethanesulfonamide

N-methyl-2-(methylamino)ethanesulfonamide (PubChem CID 54452961) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-methyl-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)ethanesulfonamide
PubChem CID54452961
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NC
InChIInChI=1S/C4H12N2O2S/c1-5-3-4-9(7,8)6-2/h5-6H,3-4H2,1-2H3
InChIKeyXYZQVHXHCRTPLA-UHFFFAOYSA-N
XLogP-1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(methylamino)ethanesulfonamide (CID 54452961) is N-methyl-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(methylamino)ethanesulfonamide?
The InChIKey is XYZQVHXHCRTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-5-3-4-9(7,8)6-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(methylamino)ethanesulfonamide?
N-methyl-2-(methylamino)ethanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 54452961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).