2-thiomorpholin-2-ylpropan-2-ol

C7H15NOS — CID 83618265

IUPAC2-thiomorpholin-2-ylpropan-2-ol
SMILESCC(C)(O)C1CNCCS1
InChIInChI=1S/C7H15NOS/c1-7(2,9)6-5-8-3-4-10-6/h6,8-9H,3-5H2,1-2H3
InChIKeyKUZKWLBDTHQBER-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds1

About 2-thiomorpholin-2-ylpropan-2-ol

2-thiomorpholin-2-ylpropan-2-ol (PubChem CID 83618265) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-thiomorpholin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-thiomorpholin-2-ylpropan-2-ol
PubChem CID83618265
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-thiomorpholin-2-ylpropan-2-ol
SMILESCC(C)(O)C1CNCCS1
InChIInChI=1S/C7H15NOS/c1-7(2,9)6-5-8-3-4-10-6/h6,8-9H,3-5H2,1-2H3
InChIKeyKUZKWLBDTHQBER-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-2-ylpropan-2-ol?
The IUPAC name of 2-thiomorpholin-2-ylpropan-2-ol (CID 83618265) is 2-thiomorpholin-2-ylpropan-2-ol.
What is the SMILES notation for 2-thiomorpholin-2-ylpropan-2-ol?
The canonical SMILES for 2-thiomorpholin-2-ylpropan-2-ol is CC(C)(O)C1CNCCS1.
What is the InChIKey of 2-thiomorpholin-2-ylpropan-2-ol?
The InChIKey is KUZKWLBDTHQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,9)6-5-8-3-4-10-6/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-thiomorpholin-2-ylpropan-2-ol?
2-thiomorpholin-2-ylpropan-2-ol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-2-ylpropan-2-ol is sourced from PubChem (CID 83618265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).