N-(2-morpholin-4-ylethyl)ethanethioamide

C8H16N2OS — CID 20696571

IUPACN-(2-morpholin-4-ylethyl)ethanethioamide
SMILESCC(=S)NCCN1CCOCC1
InChIInChI=1S/C8H16N2OS/c1-8(12)9-2-3-10-4-6-11-7-5-10/h2-7H2,1H3,(H,9,12)
InChIKeyXPEPGTCEJRHMIY-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.26
Rot. Bonds3

About N-(2-morpholin-4-ylethyl)ethanethioamide

N-(2-morpholin-4-ylethyl)ethanethioamide (PubChem CID 20696571) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)ethanethioamide
PubChem CID20696571
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-morpholin-4-ylethyl)ethanethioamide
SMILESCC(=S)NCCN1CCOCC1
InChIInChI=1S/C8H16N2OS/c1-8(12)9-2-3-10-4-6-11-7-5-10/h2-7H2,1H3,(H,9,12)
InChIKeyXPEPGTCEJRHMIY-UHFFFAOYSA-N
XLogP0.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)ethanethioamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)ethanethioamide (CID 20696571) is N-(2-morpholin-4-ylethyl)ethanethioamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)ethanethioamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)ethanethioamide is CC(=S)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)ethanethioamide?
The InChIKey is XPEPGTCEJRHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(12)9-2-3-10-4-6-11-7-5-10/h2-7H2,1H3,(H,9,12).
What are the key properties of N-(2-morpholin-4-ylethyl)ethanethioamide?
N-(2-morpholin-4-ylethyl)ethanethioamide has a molecular weight of 188.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)ethanethioamide is sourced from PubChem (CID 20696571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).