(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine

C15H19FN2S2 — CID 146168531

IUPAC(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)SCC12CCSCC2
InChIInChI=1S/C15H19FN2S2/c1-14(11-4-2-3-5-12(11)16)15(6-8-19-9-7-15)10-20-13(17)18-14/h2-5H,6-10H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyRBHZCEHEXIVGMA-CQSZACIVSA-N
MW310.46 g/mol
LogP3.62
Rot. Bonds1

About (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine

(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 146168531) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound Name(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID146168531
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC Name(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)SCC12CCSCC2
InChIInChI=1S/C15H19FN2S2/c1-14(11-4-2-3-5-12(11)16)15(6-8-19-9-7-15)10-20-13(17)18-14/h2-5H,6-10H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyRBHZCEHEXIVGMA-CQSZACIVSA-N
XLogP3.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine (CID 146168531) is (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine is C[C@]1(c2ccccc2F)N=C(N)SCC12CCSCC2.
What is the InChIKey of (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is RBHZCEHEXIVGMA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-14(11-4-2-3-5-12(11)16)15(6-8-19-9-7-15)10-20-13(17)18-14/h2-5H,6-10H2,1H3,(H2,17,18)/t14-/m1/s1.
What are the key properties of (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 310.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 146168531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).