3-[2-(dimethylamino)ethyl]thian-3-ol

C9H19NOS — CID 84732965

IUPAC3-[2-(dimethylamino)ethyl]thian-3-ol
SMILESCN(C)CCC1(O)CCCSC1
InChIInChI=1S/C9H19NOS/c1-10(2)6-5-9(11)4-3-7-12-8-9/h11H,3-8H2,1-2H3
InChIKeyCHBJCAARKCAYLA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]thian-3-ol

3-[2-(dimethylamino)ethyl]thian-3-ol (PubChem CID 84732965) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]thian-3-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]thian-3-ol
PubChem CID84732965
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-[2-(dimethylamino)ethyl]thian-3-ol
SMILESCN(C)CCC1(O)CCCSC1
InChIInChI=1S/C9H19NOS/c1-10(2)6-5-9(11)4-3-7-12-8-9/h11H,3-8H2,1-2H3
InChIKeyCHBJCAARKCAYLA-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(dimethylamino)ethyl]thian-3-ol 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 3-[2-(dimethylamino)ethyl]thian-3-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]thian-3-ol (CID 84732965) is 3-[2-(dimethylamino)ethyl]thian-3-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]thian-3-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]thian-3-ol is CN(C)CCC1(O)CCCSC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]thian-3-ol?
The InChIKey is CHBJCAARKCAYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-10(2)6-5-9(11)4-3-7-12-8-9/h11H,3-8H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]thian-3-ol?
3-[2-(dimethylamino)ethyl]thian-3-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]thian-3-ol is sourced from PubChem (CID 84732965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).