2-(methylamino)ethanesulfonamide

C3H10N2O2S — CID 22002235

IUPAC2-(methylamino)ethanesulfonamide
SMILESCNCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O2S/c1-5-2-3-8(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyZQYTUZRTFNQVCE-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.51
Rot. Bonds3

About 2-(methylamino)ethanesulfonamide

2-(methylamino)ethanesulfonamide (PubChem CID 22002235) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)ethanesulfonamide
PubChem CID22002235
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Name2-(methylamino)ethanesulfonamide
SMILESCNCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O2S/c1-5-2-3-8(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyZQYTUZRTFNQVCE-UHFFFAOYSA-N
XLogP-1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanesulfonamide?
The IUPAC name of 2-(methylamino)ethanesulfonamide (CID 22002235) is 2-(methylamino)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)ethanesulfonamide is CNCCS(N)(=O)=O.
What is the InChIKey of 2-(methylamino)ethanesulfonamide?
The InChIKey is ZQYTUZRTFNQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-5-2-3-8(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7).
What are the key properties of 2-(methylamino)ethanesulfonamide?
2-(methylamino)ethanesulfonamide has a molecular weight of 138.19 g/mol, XLogP of -1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 22002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).