(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione

C10H18N3S2+ — CID 7360627

IUPAC(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione
SMILESC[C@@H]1C[C@]2(NC(=S)NC2=S)[C@H](C)C[NH+]1C
InChIInChI=1S/C10H17N3S2/c1-6-5-13(3)7(2)4-10(6)8(14)11-9(15)12-10/h6-7H,4-5H2,1-3H3,(H2,11,12,14,15)/p+1/t6-,7-,10+/m1/s1
InChIKeyOTXJAGKOOBMJGK-XSSZXYGBSA-O
MW244.41 g/mol
LogP-0.53
Rot. Bonds

About (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione

(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione (PubChem CID 7360627) has the molecular formula C10H18N3S2+ and a molecular weight of 244.41 g/mol. Its IUPAC name is (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione.

Molecular Properties

Compound Name(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione
PubChem CID7360627
Molecular FormulaC10H18N3S2+
Molecular Weight244.41 g/mol
Exact Mass244.09
IUPAC Name(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione
SMILESC[C@@H]1C[C@]2(NC(=S)NC2=S)[C@H](C)C[NH+]1C
InChIInChI=1S/C10H17N3S2/c1-6-5-13(3)7(2)4-10(6)8(14)11-9(15)12-10/h6-7H,4-5H2,1-3H3,(H2,11,12,14,15)/p+1/t6-,7-,10+/m1/s1
InChIKeyOTXJAGKOOBMJGK-XSSZXYGBSA-O
XLogP-0.53
TPSA28.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione with MolForge

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Related Compounds

(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione
CID 7493843
1,2-dimethylaziridin-1-ium
CID 59383272
(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine
CID 7431930
2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl]ethylazanium
CID 7079867
[4-[(2S,4S,5R)-4-hydroxy-1,2,5-trimethylpiperidin-1-ium-4-yl]-2-methylbut-3-yn-2-yl] benzoate
CID 7320909
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319652
2-[(2R,4R,5S)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl]ethyl-[(4-methoxyphenyl)methyl]azanium
CID 7071028
[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl] benzoate
CID 7071864
[(2R,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl] furan-2-carboxylate
CID 7354101
(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
CID 55299995
6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 3431792
(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7289638

Frequently Asked Questions

What is the IUPAC name of (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione?
The IUPAC name of (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione (CID 7360627) is (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione.
What is the SMILES notation for (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione?
The canonical SMILES for (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione is C[C@@H]1C[C@]2(NC(=S)NC2=S)[C@H](C)C[NH+]1C.
What is the InChIKey of (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione?
The InChIKey is OTXJAGKOOBMJGK-XSSZXYGBSA-O. The full InChI is InChI=1S/C10H17N3S2/c1-6-5-13(3)7(2)4-10(6)8(14)11-9(15)12-10/h6-7H,4-5H2,1-3H3,(H2,11,12,14,15)/p+1/t6-,7-,10+/m1/s1.
What are the key properties of (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione?
(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione has a molecular weight of 244.41 g/mol, XLogP of -0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione is sourced from PubChem (CID 7360627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).