(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride

C10H17ClN2O4S — CID 88823083

IUPAC(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride
SMILESCC(=O)C(=O)ONC(=S)CCN1CCOCC1.Cl
InChIInChI=1S/C10H16N2O4S.ClH/c1-8(13)10(14)16-11-9(17)2-3-12-4-6-15-7-5-12;/h2-7H2,1H3,(H,11,17);1H
InChIKeyXLZTYAKDGRWHHK-UHFFFAOYSA-N
MW296.78 g/mol
LogP0.09
Rot. Bonds4

About (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride

(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride (PubChem CID 88823083) has the molecular formula C10H17ClN2O4S and a molecular weight of 296.78 g/mol. Its IUPAC name is (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride.

Molecular Properties

Compound Name(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride
PubChem CID88823083
Molecular FormulaC10H17ClN2O4S
Molecular Weight296.78 g/mol
Exact Mass296.06
IUPAC Name(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride
SMILESCC(=O)C(=O)ONC(=S)CCN1CCOCC1.Cl
InChIInChI=1S/C10H16N2O4S.ClH/c1-8(13)10(14)16-11-9(17)2-3-12-4-6-15-7-5-12;/h2-7H2,1H3,(H,11,17);1H
InChIKeyXLZTYAKDGRWHHK-UHFFFAOYSA-N
XLogP0.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride 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 (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride?
The IUPAC name of (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride (CID 88823083) is (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride.
What is the SMILES notation for (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride?
The canonical SMILES for (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride is CC(=O)C(=O)ONC(=S)CCN1CCOCC1.Cl.
What is the InChIKey of (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride?
The InChIKey is XLZTYAKDGRWHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S.ClH/c1-8(13)10(14)16-11-9(17)2-3-12-4-6-15-7-5-12;/h2-7H2,1H3,(H,11,17);1H.
What are the key properties of (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride?
(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride is sourced from PubChem (CID 88823083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).