thiomorpholin-4-ylmethanol

C5H11NOS — CID 54392826

IUPACthiomorpholin-4-ylmethanol
SMILESOCN1CCSCC1
InChIInChI=1S/C5H11NOS/c7-5-6-1-3-8-4-2-6/h7H,1-5H2
InChIKeyXDIRZPJNLKYTKV-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.01
Rot. Bonds1

About thiomorpholin-4-ylmethanol

thiomorpholin-4-ylmethanol (PubChem CID 54392826) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is thiomorpholin-4-ylmethanol.

Molecular Properties

Compound Namethiomorpholin-4-ylmethanol
PubChem CID54392826
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Namethiomorpholin-4-ylmethanol
SMILESOCN1CCSCC1
InChIInChI=1S/C5H11NOS/c7-5-6-1-3-8-4-2-6/h7H,1-5H2
InChIKeyXDIRZPJNLKYTKV-UHFFFAOYSA-N
XLogP-0.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Thiomorpholin-4-yl)ethan-1-ol
CID 575659
1-Thiomorpholin-4-ylethanol
CID 20569440
(1-Oxo-1,4-thiazinan-4-yl)methanol
CID 22924645
4-(Methoxymethyl)thiomorpholine
CID 57609451
4-Ethylthiomorpholin-3-ol
CID 91305359
4-Methylthiomorpholin-3-ol
CID 124142746
4-Methylthiomorpholine;hydrate
CID 145293567
Thiomorpholin-4-ylmethanediol
CID 173826364
4-Ethylthiomorpholin-2-ol
CID 174500460
2-Thiomorpholin-4-ylethanol;hydrochloride
CID 71337153

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-ylmethanol?
The IUPAC name of thiomorpholin-4-ylmethanol (CID 54392826) is thiomorpholin-4-ylmethanol.
What is the SMILES notation for thiomorpholin-4-ylmethanol?
The canonical SMILES for thiomorpholin-4-ylmethanol is OCN1CCSCC1.
What is the InChIKey of thiomorpholin-4-ylmethanol?
The InChIKey is XDIRZPJNLKYTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-5-6-1-3-8-4-2-6/h7H,1-5H2.
What are the key properties of thiomorpholin-4-ylmethanol?
thiomorpholin-4-ylmethanol has a molecular weight of 133.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-ylmethanol is sourced from PubChem (CID 54392826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).