2-(2-propylthiomorpholin-4-yl)ethanol

C9H19NOS — CID 67998080

IUPAC2-(2-propylthiomorpholin-4-yl)ethanol
SMILESCCCC1CN(CCO)CCS1
InChIInChI=1S/C9H19NOS/c1-2-3-9-8-10(4-6-11)5-7-12-9/h9,11H,2-8H2,1H3
InChIKeyOVKTVXXQRMCRMA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds4

About 2-(2-propylthiomorpholin-4-yl)ethanol

2-(2-propylthiomorpholin-4-yl)ethanol (PubChem CID 67998080) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(2-propylthiomorpholin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-propylthiomorpholin-4-yl)ethanol
PubChem CID67998080
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(2-propylthiomorpholin-4-yl)ethanol
SMILESCCCC1CN(CCO)CCS1
InChIInChI=1S/C9H19NOS/c1-2-3-9-8-10(4-6-11)5-7-12-9/h9,11H,2-8H2,1H3
InChIKeyOVKTVXXQRMCRMA-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylthiomorpholin-4-yl)ethanol?
The IUPAC name of 2-(2-propylthiomorpholin-4-yl)ethanol (CID 67998080) is 2-(2-propylthiomorpholin-4-yl)ethanol.
What is the SMILES notation for 2-(2-propylthiomorpholin-4-yl)ethanol?
The canonical SMILES for 2-(2-propylthiomorpholin-4-yl)ethanol is CCCC1CN(CCO)CCS1.
What is the InChIKey of 2-(2-propylthiomorpholin-4-yl)ethanol?
The InChIKey is OVKTVXXQRMCRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-3-9-8-10(4-6-11)5-7-12-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-(2-propylthiomorpholin-4-yl)ethanol?
2-(2-propylthiomorpholin-4-yl)ethanol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylthiomorpholin-4-yl)ethanol is sourced from PubChem (CID 67998080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).