N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H19FN2S — CID 103967612

IUPACN-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFc1ccc(NC2=NCC3(CCCCC3)CS2)cc1
InChIInChI=1S/C15H19FN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeyKRYNQPSHVMBPCB-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.29
Rot. Bonds1

About N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967612) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967612
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFc1ccc(NC2=NCC3(CCCCC3)CS2)cc1
InChIInChI=1S/C15H19FN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeyKRYNQPSHVMBPCB-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967612) is N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is Fc1ccc(NC2=NCC3(CCCCC3)CS2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is KRYNQPSHVMBPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 278.40 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).