1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione

C8H12N2S2 — CID 171384862

IUPAC1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
SMILESCN1C(=S)NC(=S)C12CCCC2
InChIInChI=1S/C8H12N2S2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
InChIKeyBLUKSMOABYTPAM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.45
Rot. Bonds

About 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione

1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione (PubChem CID 171384862) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione.

Molecular Properties

Compound Name1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
PubChem CID171384862
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
SMILESCN1C(=S)NC(=S)C12CCCC2
InChIInChI=1S/C8H12N2S2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
InChIKeyBLUKSMOABYTPAM-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-sulfanylidene-1,3,8-triazaspiro[4.5]decan-2-one
CID 154381119
2-methyl-1,2,4-triazaspiro[4.11]hexadecane-3-thione
CID 100601184
1-methyl-1-azaspiro[4.4]nonane-2,4-dione
CID 14507935
1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 123782163
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886456
1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
CID 83880106
3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione
CID 10561470
4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 66936393
4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one
CID 126710021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione?
The IUPAC name of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione (CID 171384862) is 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione.
What is the SMILES notation for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione?
The canonical SMILES for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione is CN1C(=S)NC(=S)C12CCCC2.
What is the InChIKey of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione?
The InChIKey is BLUKSMOABYTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12).
What are the key properties of 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione?
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione has a molecular weight of 200.33 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione is sourced from PubChem (CID 171384862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).