2-ethylmorpholine-2-thiol

C6H13NOS — CID 20568449

IUPAC2-ethylmorpholine-2-thiol
SMILESCCC1(S)CNCCO1
InChIInChI=1S/C6H13NOS/c1-2-6(9)5-7-3-4-8-6/h7,9H,2-5H2,1H3
InChIKeyHNSRZFOTZKRQAT-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.64
Rot. Bonds1

About 2-ethylmorpholine-2-thiol

2-ethylmorpholine-2-thiol (PubChem CID 20568449) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-ethylmorpholine-2-thiol.

Molecular Properties

Compound Name2-ethylmorpholine-2-thiol
PubChem CID20568449
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-ethylmorpholine-2-thiol
SMILESCCC1(S)CNCCO1
InChIInChI=1S/C6H13NOS/c1-2-6(9)5-7-3-4-8-6/h7,9H,2-5H2,1H3
InChIKeyHNSRZFOTZKRQAT-UHFFFAOYSA-N
XLogP0.64
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylmorpholine-2-thiol?
The IUPAC name of 2-ethylmorpholine-2-thiol (CID 20568449) is 2-ethylmorpholine-2-thiol.
What is the SMILES notation for 2-ethylmorpholine-2-thiol?
The canonical SMILES for 2-ethylmorpholine-2-thiol is CCC1(S)CNCCO1.
What is the InChIKey of 2-ethylmorpholine-2-thiol?
The InChIKey is HNSRZFOTZKRQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-6(9)5-7-3-4-8-6/h7,9H,2-5H2,1H3.
What are the key properties of 2-ethylmorpholine-2-thiol?
2-ethylmorpholine-2-thiol has a molecular weight of 147.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylmorpholine-2-thiol is sourced from PubChem (CID 20568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).