2-(dimethylamino)ethanethiol;methanesulfonic acid

C5H15NO3S2 — CID 23033854

IUPAC2-(dimethylamino)ethanethiol;methanesulfonic acid
SMILESCN(C)CCS.CS(=O)(=O)O
InChIInChI=1S/C4H11NS.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMLSSLWQLTAKDRB-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.02
Rot. Bonds2

About 2-(dimethylamino)ethanethiol;methanesulfonic acid

2-(dimethylamino)ethanethiol;methanesulfonic acid (PubChem CID 23033854) has the molecular formula C5H15NO3S2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethanethiol;methanesulfonic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanethiol;methanesulfonic acid
PubChem CID23033854
Molecular FormulaC5H15NO3S2
Molecular Weight201.31 g/mol
Exact Mass201.05
IUPAC Name2-(dimethylamino)ethanethiol;methanesulfonic acid
SMILESCN(C)CCS.CS(=O)(=O)O
InChIInChI=1S/C4H11NS.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMLSSLWQLTAKDRB-UHFFFAOYSA-N
XLogP-0.02
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethanethiol;methanesulfonic acid 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-(dimethylamino)ethanethiol;methanesulfonic acid?
The IUPAC name of 2-(dimethylamino)ethanethiol;methanesulfonic acid (CID 23033854) is 2-(dimethylamino)ethanethiol;methanesulfonic acid.
What is the SMILES notation for 2-(dimethylamino)ethanethiol;methanesulfonic acid?
The canonical SMILES for 2-(dimethylamino)ethanethiol;methanesulfonic acid is CN(C)CCS.CS(=O)(=O)O.
What is the InChIKey of 2-(dimethylamino)ethanethiol;methanesulfonic acid?
The InChIKey is MLSSLWQLTAKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-(dimethylamino)ethanethiol;methanesulfonic acid?
2-(dimethylamino)ethanethiol;methanesulfonic acid has a molecular weight of 201.31 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanethiol;methanesulfonic acid is sourced from PubChem (CID 23033854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).