(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione

C11H21N3S — CID 704568

IUPAC(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(C)N2
InChIInChI=1S/C11H21N3S/c1-8-5-10(2,3)7-11(6-8)12-9(15)14(4)13-11/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-,11+/m0/s1
InChIKeyRXZWKHJERYXKOD-GZMMTYOYSA-N
MW227.38 g/mol
LogP1.85
Rot. Bonds

About (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione

(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione (PubChem CID 704568) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione.

Molecular Properties

Compound Name(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione
PubChem CID704568
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(C)N2
InChIInChI=1S/C11H21N3S/c1-8-5-10(2,3)7-11(6-8)12-9(15)14(4)13-11/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-,11+/m0/s1
InChIKeyRXZWKHJERYXKOD-GZMMTYOYSA-N
XLogP1.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,9R)-7,7,9-trimethyl-2-(4-methylphenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
CID 704189
(5R,9S)-2-(4-chlorophenyl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 919922
(5R,9R)-2-(3,4-dimethylphenyl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 706643
2-tert-butyl-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decan-3-one
CID 16763100
2-methyl-1,2,4-triazaspiro[4.11]hexadecane-3-thione
CID 100601184
(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
CID 92503328
(5R,9R)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
CID 92503325
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
1,1,3-trimethylcyclobutane
CID 12656861
6,6,8-trimethyl-1-azaspiro[3.5]nonan-2-one
CID 64664078
(5S,7S)-2-tert-butyl-7-methyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 728829
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The IUPAC name of (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione (CID 704568) is (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione.
What is the SMILES notation for (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The canonical SMILES for (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione is C[C@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(C)N2.
What is the InChIKey of (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The InChIKey is RXZWKHJERYXKOD-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8-5-10(2,3)7-11(6-8)12-9(15)14(4)13-11/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-,11+/m0/s1.
What are the key properties of (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione has a molecular weight of 227.38 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione is sourced from PubChem (CID 704568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).