2-aminoethanol;methylsulfonylmethane

C4H13NO3S — CID 174641352

IUPAC2-aminoethanol;methylsulfonylmethane
SMILESCS(C)(=O)=O.NCCO
InChIInChI=1S/C2H7NO.C2H6O2S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1-2H3
InChIKeyQCCLQBVVAFPNRS-UHFFFAOYSA-N
MW155.22 g/mol
LogP-1.40
Rot. Bonds1

About 2-aminoethanol;methylsulfonylmethane

2-aminoethanol;methylsulfonylmethane (PubChem CID 174641352) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-aminoethanol;methylsulfonylmethane.

Molecular Properties

Compound Name2-aminoethanol;methylsulfonylmethane
PubChem CID174641352
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Name2-aminoethanol;methylsulfonylmethane
SMILESCS(C)(=O)=O.NCCO
InChIInChI=1S/C2H7NO.C2H6O2S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1-2H3
InChIKeyQCCLQBVVAFPNRS-UHFFFAOYSA-N
XLogP-1.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-aminoethanol;methylsulfonylmethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;methylsulfonylmethane?
The IUPAC name of 2-aminoethanol;methylsulfonylmethane (CID 174641352) is 2-aminoethanol;methylsulfonylmethane.
What is the SMILES notation for 2-aminoethanol;methylsulfonylmethane?
The canonical SMILES for 2-aminoethanol;methylsulfonylmethane is CS(C)(=O)=O.NCCO.
What is the InChIKey of 2-aminoethanol;methylsulfonylmethane?
The InChIKey is QCCLQBVVAFPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.C2H6O2S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;1-2H3.
What are the key properties of 2-aminoethanol;methylsulfonylmethane?
2-aminoethanol;methylsulfonylmethane has a molecular weight of 155.22 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;methylsulfonylmethane is sourced from PubChem (CID 174641352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).