1-thiomorpholin-4-ylpropan-2-ol

C7H15NOS — CID 53412382

IUPAC1-thiomorpholin-4-ylpropan-2-ol
SMILESCC(O)CN1CCSCC1
InChIInChI=1S/C7H15NOS/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
InChIKeyHUJGFZBJVXQNFF-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds2

About 1-thiomorpholin-4-ylpropan-2-ol

1-thiomorpholin-4-ylpropan-2-ol (PubChem CID 53412382) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-thiomorpholin-4-ylpropan-2-ol
PubChem CID53412382
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-thiomorpholin-4-ylpropan-2-ol
SMILESCC(O)CN1CCSCC1
InChIInChI=1S/C7H15NOS/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
InChIKeyHUJGFZBJVXQNFF-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-thiomorpholin-4-ylpropan-2-ol?
The IUPAC name of 1-thiomorpholin-4-ylpropan-2-ol (CID 53412382) is 1-thiomorpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-thiomorpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-thiomorpholin-4-ylpropan-2-ol is CC(O)CN1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylpropan-2-ol?
The InChIKey is HUJGFZBJVXQNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylpropan-2-ol?
1-thiomorpholin-4-ylpropan-2-ol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylpropan-2-ol is sourced from PubChem (CID 53412382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).