(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione

C15H19N3S2 — CID 7493843

IUPAC(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione
SMILESC[C@H]1[C@H](c2ccccc2)N(C)CC[C@]12NC(=S)NC2=S
InChIInChI=1S/C15H19N3S2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/t10-,12+,15-/m0/s1
InChIKeyQLIKARSSCIFZNJ-NVBFEUDRSA-N
MW305.47 g/mol
LogP2.24
Rot. Bonds1

About (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione

(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione (PubChem CID 7493843) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione.

Molecular Properties

Compound Name(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione
PubChem CID7493843
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione
SMILESC[C@H]1[C@H](c2ccccc2)N(C)CC[C@]12NC(=S)NC2=S
InChIInChI=1S/C15H19N3S2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/t10-,12+,15-/m0/s1
InChIKeyQLIKARSSCIFZNJ-NVBFEUDRSA-N
XLogP2.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione?
The IUPAC name of (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione (CID 7493843) is (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione.
What is the SMILES notation for (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione?
The canonical SMILES for (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione is C[C@H]1[C@H](c2ccccc2)N(C)CC[C@]12NC(=S)NC2=S.
What is the InChIKey of (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione?
The InChIKey is QLIKARSSCIFZNJ-NVBFEUDRSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/t10-,12+,15-/m0/s1.
What are the key properties of (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione?
(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione has a molecular weight of 305.47 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione is sourced from PubChem (CID 7493843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).