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

C9H18N2OS — CID 130369501

IUPACN-(2-morpholin-4-ylethyl)propanethioamide
SMILESCCC(=S)NCCN1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-2-9(13)10-3-4-11-5-7-12-8-6-11/h2-8H2,1H3,(H,10,13)
InChIKeyNXYADQIBONIFDH-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.65
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)propanethioamide (PubChem CID 130369501) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)propanethioamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)propanethioamide
PubChem CID130369501
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(2-morpholin-4-ylethyl)propanethioamide
SMILESCCC(=S)NCCN1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-2-9(13)10-3-4-11-5-7-12-8-6-11/h2-8H2,1H3,(H,10,13)
InChIKeyNXYADQIBONIFDH-UHFFFAOYSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)propanethioamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)propanethioamide (CID 130369501) is N-(2-morpholin-4-ylethyl)propanethioamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)propanethioamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)propanethioamide is CCC(=S)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)propanethioamide?
The InChIKey is NXYADQIBONIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-9(13)10-3-4-11-5-7-12-8-6-11/h2-8H2,1H3,(H,10,13).
What are the key properties of N-(2-morpholin-4-ylethyl)propanethioamide?
N-(2-morpholin-4-ylethyl)propanethioamide has a molecular weight of 202.32 g/mol, XLogP of 0.65, 4 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)propanethioamide is sourced from PubChem (CID 130369501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).