2-[2-(dimethylamino)ethylamino]ethanethiol

C6H16N2S — CID 15303080

IUPAC2-[2-(dimethylamino)ethylamino]ethanethiol
SMILESCN(C)CCNCCS
InChIInChI=1S/C6H16N2S/c1-8(2)5-3-7-4-6-9/h7,9H,3-6H2,1-2H3
InChIKeyICRMPEGPXBQDBD-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.07
Rot. Bonds5

About 2-[2-(dimethylamino)ethylamino]ethanethiol

2-[2-(dimethylamino)ethylamino]ethanethiol (PubChem CID 15303080) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]ethanethiol
PubChem CID15303080
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name2-[2-(dimethylamino)ethylamino]ethanethiol
SMILESCN(C)CCNCCS
InChIInChI=1S/C6H16N2S/c1-8(2)5-3-7-4-6-9/h7,9H,3-6H2,1-2H3
InChIKeyICRMPEGPXBQDBD-UHFFFAOYSA-N
XLogP0.07
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]ethanethiol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]ethanethiol (CID 15303080) is 2-[2-(dimethylamino)ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]ethanethiol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]ethanethiol is CN(C)CCNCCS.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]ethanethiol?
The InChIKey is ICRMPEGPXBQDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-8(2)5-3-7-4-6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]ethanethiol?
2-[2-(dimethylamino)ethylamino]ethanethiol has a molecular weight of 148.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]ethanethiol is sourced from PubChem (CID 15303080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).