propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide

C11H22IN3O2S — CID 111037125

IUPACpropan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
SMILESCC(C)OC(=O)CC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C11H21N3O2S.HI/c1-9(2)16-10(15)3-4-13-11(12)14-5-7-17-8-6-14;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyKKKCRCQDGJVMPP-UHFFFAOYSA-N
MW387.29 g/mol
LogP1.31
Rot. Bonds4

About propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide

propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide (PubChem CID 111037125) has the molecular formula C11H22IN3O2S and a molecular weight of 387.29 g/mol. Its IUPAC name is propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide.

Molecular Properties

Compound Namepropan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
PubChem CID111037125
Molecular FormulaC11H22IN3O2S
Molecular Weight387.29 g/mol
Exact Mass387.05
IUPAC Namepropan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
SMILESCC(C)OC(=O)CC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C11H21N3O2S.HI/c1-9(2)16-10(15)3-4-13-11(12)14-5-7-17-8-6-14;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyKKKCRCQDGJVMPP-UHFFFAOYSA-N
XLogP1.31
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 110062083
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(3-ethoxy-4-methylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823098
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
tert-butyl 2-[[amino(thiomorpholin-4-yl)methylidene]amino]acetate
CID 111801462
propan-2-yl 2-thiomorpholin-4-ylacetate
CID 60775800
benzyl 5-[[amino(thiomorpholin-4-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028879

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide?
The IUPAC name of propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide (CID 111037125) is propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide.
What is the SMILES notation for propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide?
The canonical SMILES for propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide is CC(C)OC(=O)CC/N=C(\N)N1CCSCC1.I.
What is the InChIKey of propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide?
The InChIKey is KKKCRCQDGJVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S.HI/c1-9(2)16-10(15)3-4-13-11(12)14-5-7-17-8-6-14;/h9H,3-8H2,1-2H3,(H2,12,13);1H.
What are the key properties of propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide?
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide has a molecular weight of 387.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide is sourced from PubChem (CID 111037125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).