N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

C14H25N3OS — CID 135977306

IUPACN-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESC(C/N=C1/NC2(CCCC2)CS1)CN1CCOCC1
InChIInChI=1S/C14H25N3OS/c1-2-5-14(4-1)12-19-13(16-14)15-6-3-7-17-8-10-18-11-9-17/h1-12H2,(H,15,16)
InChIKeyCGMMIVPSWRSULZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.71
Rot. Bonds4

About N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 135977306) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID135977306
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESC(C/N=C1/NC2(CCCC2)CS1)CN1CCOCC1
InChIInChI=1S/C14H25N3OS/c1-2-5-14(4-1)12-19-13(16-14)15-6-3-7-17-8-10-18-11-9-17/h1-12H2,(H,15,16)
InChIKeyCGMMIVPSWRSULZ-UHFFFAOYSA-N
XLogP1.71
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine 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

4,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934636
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
N-[2-(4-methylpyrazol-1-yl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730450
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
N-(2-pyridin-4-ylethyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977161
N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136817020

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 135977306) is N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine is C(C/N=C1/NC2(CCCC2)CS1)CN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is CGMMIVPSWRSULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-2-5-14(4-1)12-19-13(16-14)15-6-3-7-17-8-10-18-11-9-17/h1-12H2,(H,15,16).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 283.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 135977306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).