1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

C19H23F3N2S — CID 18316255

IUPAC1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESFC(F)(F)c1ccc(/N=C2\SCC3(CCCC3)N2C2CCCC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)14-7-9-15(10-8-14)23-17-24(16-5-1-2-6-16)18(13-25-17)11-3-4-12-18/h7-10,16H,1-6,11-13H2/b23-17-
InChIKeyDGUAASNWHJOQOF-QJOMJCCJSA-N
MW368.47 g/mol
LogP6.00
Rot. Bonds2

About 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 18316255) has the molecular formula C19H23F3N2S and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID18316255
Molecular FormulaC19H23F3N2S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC Name1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESFC(F)(F)c1ccc(/N=C2\SCC3(CCCC3)N2C2CCCC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)14-7-9-15(10-8-14)23-17-24(16-5-1-2-6-16)18(13-25-17)11-3-4-12-18/h7-10,16H,1-6,11-13H2/b23-17-
InChIKeyDGUAASNWHJOQOF-QJOMJCCJSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 18316255) is 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is FC(F)(F)c1ccc(/N=C2\SCC3(CCCC3)N2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is DGUAASNWHJOQOF-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H23F3N2S/c20-19(21,22)14-7-9-15(10-8-14)23-17-24(16-5-1-2-6-16)18(13-25-17)11-3-4-12-18/h7-10,16H,1-6,11-13H2/b23-17-.
What are the key properties of 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 368.47 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 18316255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).