3-thiomorpholin-4-ylpropan-1-ol

C7H15NOS — CID 24728017

IUPAC3-thiomorpholin-4-ylpropan-1-ol
SMILESOCCCN1CCSCC1
InChIInChI=1S/C7H15NOS/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
InChIKeyCRKREKTVCDSOSW-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds3

About 3-thiomorpholin-4-ylpropan-1-ol

3-thiomorpholin-4-ylpropan-1-ol (PubChem CID 24728017) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-thiomorpholin-4-ylpropan-1-ol
PubChem CID24728017
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-thiomorpholin-4-ylpropan-1-ol
SMILESOCCCN1CCSCC1
InChIInChI=1S/C7H15NOS/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
InChIKeyCRKREKTVCDSOSW-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylpropan-1-ol?
The IUPAC name of 3-thiomorpholin-4-ylpropan-1-ol (CID 24728017) is 3-thiomorpholin-4-ylpropan-1-ol.
What is the SMILES notation for 3-thiomorpholin-4-ylpropan-1-ol?
The canonical SMILES for 3-thiomorpholin-4-ylpropan-1-ol is OCCCN1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylpropan-1-ol?
The InChIKey is CRKREKTVCDSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2.
What are the key properties of 3-thiomorpholin-4-ylpropan-1-ol?
3-thiomorpholin-4-ylpropan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylpropan-1-ol is sourced from PubChem (CID 24728017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).