2-thiomorpholin-4-ylethanol;hydrochloride

C6H14ClNOS — CID 71337153

IUPAC2-thiomorpholin-4-ylethanol;hydrochloride
SMILESCl.OCCN1CCSCC1
InChIInChI=1S/C6H13NOS.ClH/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyCGWLMWLXVFNPOT-UHFFFAOYSA-N
MW183.70 g/mol
LogP0.45
Rot. Bonds2

About 2-thiomorpholin-4-ylethanol;hydrochloride

2-thiomorpholin-4-ylethanol;hydrochloride (PubChem CID 71337153) has the molecular formula C6H14ClNOS and a molecular weight of 183.70 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-4-ylethanol;hydrochloride
PubChem CID71337153
Molecular FormulaC6H14ClNOS
Molecular Weight183.70 g/mol
Exact Mass183.05
IUPAC Name2-thiomorpholin-4-ylethanol;hydrochloride
SMILESCl.OCCN1CCSCC1
InChIInChI=1S/C6H13NOS.ClH/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyCGWLMWLXVFNPOT-UHFFFAOYSA-N
XLogP0.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.70
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-thiomorpholin-4-ylethanol;hydrochloride 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-thiomorpholin-4-ylethanol;hydrochloride?
The IUPAC name of 2-thiomorpholin-4-ylethanol;hydrochloride (CID 71337153) is 2-thiomorpholin-4-ylethanol;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-4-ylethanol;hydrochloride?
The canonical SMILES for 2-thiomorpholin-4-ylethanol;hydrochloride is Cl.OCCN1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylethanol;hydrochloride?
The InChIKey is CGWLMWLXVFNPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.ClH/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H.
What are the key properties of 2-thiomorpholin-4-ylethanol;hydrochloride?
2-thiomorpholin-4-ylethanol;hydrochloride has a molecular weight of 183.70 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylethanol;hydrochloride is sourced from PubChem (CID 71337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).