1-thiomorpholin-4-ylethanol

C6H13NOS — CID 20569440

IUPAC1-thiomorpholin-4-ylethanol
SMILESCC(O)N1CCSCC1
InChIInChI=1S/C6H13NOS/c1-6(8)7-2-4-9-5-3-7/h6,8H,2-5H2,1H3
InChIKeyHTUCHOCUPKDXEO-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.37
Rot. Bonds1

About 1-thiomorpholin-4-ylethanol

1-thiomorpholin-4-ylethanol (PubChem CID 20569440) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylethanol.

Molecular Properties

Compound Name1-thiomorpholin-4-ylethanol
PubChem CID20569440
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-thiomorpholin-4-ylethanol
SMILESCC(O)N1CCSCC1
InChIInChI=1S/C6H13NOS/c1-6(8)7-2-4-9-5-3-7/h6,8H,2-5H2,1H3
InChIKeyHTUCHOCUPKDXEO-UHFFFAOYSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Thiomorpholin-4-yl)ethan-1-ol
CID 575659
2-((2-(Dimethylamino)ethyl)thio)ethanol
CID 305582
2-(3-Methyl-thiomorpholin-4-yl)ethanol
CID 64052777
N-(2-hydroxyethyl)-2,6-dimethylthio-morpholine
CID 64119799
2-(2-Methylthiomorpholin-4-yl)ethanol
CID 86005948
2-[2-(Diethylamino)ethylthio]ethanol
CID 5256545
(4-Methylthiomorpholin-2-yl)methanol
CID 15015495
4-Thiomorpholinobut-2-YN-1-OL
CID 18703417
2-[1-(Dimethylamino)ethylsulfanyl]ethanol
CID 18755319
3-Thiomorpholinopropan-1-ol
CID 24728017
N-(2-hydroxypropyl)thiomorpholine
CID 53412382
Thiomorpholin-4-ylmethanol
CID 54392826

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylethanol?
The IUPAC name of 1-thiomorpholin-4-ylethanol (CID 20569440) is 1-thiomorpholin-4-ylethanol.
What is the SMILES notation for 1-thiomorpholin-4-ylethanol?
The canonical SMILES for 1-thiomorpholin-4-ylethanol is CC(O)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylethanol?
The InChIKey is HTUCHOCUPKDXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(8)7-2-4-9-5-3-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylethanol?
1-thiomorpholin-4-ylethanol has a molecular weight of 147.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylethanol is sourced from PubChem (CID 20569440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).