2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione

C10H18N2S2 — CID 10466418

IUPAC2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione
SMILESCCC1SC2(CCN(C)CC2)NC1=S
InChIInChI=1S/C10H18N2S2/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyDIQGNGJBQQSXGH-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.85
Rot. Bonds1

About 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione

2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione (PubChem CID 10466418) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione.

Molecular Properties

Compound Name2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione
PubChem CID10466418
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione
SMILESCCC1SC2(CCN(C)CC2)NC1=S
InChIInChI=1S/C10H18N2S2/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyDIQGNGJBQQSXGH-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione?
The IUPAC name of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione (CID 10466418) is 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione.
What is the SMILES notation for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione?
The canonical SMILES for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione is CCC1SC2(CCN(C)CC2)NC1=S.
What is the InChIKey of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione?
The InChIKey is DIQGNGJBQQSXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione?
2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione has a molecular weight of 230.40 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-thione is sourced from PubChem (CID 10466418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).