N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine

C17H22N2S — CID 135977098

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESc1ccc2c(c1)CCC(/N=C1/NC3(CCCC3)CS1)C2
InChIInChI=1S/C17H22N2S/c1-2-6-14-11-15(8-7-13(14)5-1)18-16-19-17(12-20-16)9-3-4-10-17/h1-2,5-6,15H,3-4,7-12H2,(H,18,19)
InChIKeyZSCJROFDCAKFJR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.55
Rot. Bonds1

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 135977098) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID135977098
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESc1ccc2c(c1)CCC(/N=C1/NC3(CCCC3)CS1)C2
InChIInChI=1S/C17H22N2S/c1-2-6-14-11-15(8-7-13(14)5-1)18-16-19-17(12-20-16)9-3-4-10-17/h1-2,5-6,15H,3-4,7-12H2,(H,18,19)
InChIKeyZSCJROFDCAKFJR-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1,2,3,4-tetrahydronaphthalen-2-yl)-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-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
CID 136757201
1-amino-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 64869017
1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 83035920
spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]
CID 141049949
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
3-methyl-2-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)butanamide
CID 136784852
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 55340063
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488951
7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136703329

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 135977098) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine is c1ccc2c(c1)CCC(/N=C1/NC3(CCCC3)CS1)C2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is ZSCJROFDCAKFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-14-11-15(8-7-13(14)5-1)18-16-19-17(12-20-16)9-3-4-10-17/h1-2,5-6,15H,3-4,7-12H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 286.44 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 135977098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).