4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione

C10H17N5OS — CID 155815776

IUPAC4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione
SMILESCN1C(=S)N(C)C2NC(N3CCOCC3)=NC21
InChIInChI=1S/C10H17N5OS/c1-13-7-8(14(2)10(13)17)12-9(11-7)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyPCKNRUSENZWHLK-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.91
Rot. Bonds

About 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione

4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione (PubChem CID 155815776) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione.

Molecular Properties

Compound Name4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione
PubChem CID155815776
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione
SMILESCN1C(=S)N(C)C2NC(N3CCOCC3)=NC21
InChIInChI=1S/C10H17N5OS/c1-13-7-8(14(2)10(13)17)12-9(11-7)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyPCKNRUSENZWHLK-UHFFFAOYSA-N
XLogP-0.91
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione?
The IUPAC name of 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione (CID 155815776) is 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione.
What is the SMILES notation for 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione?
The canonical SMILES for 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione is CN1C(=S)N(C)C2NC(N3CCOCC3)=NC21.
What is the InChIKey of 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione?
The InChIKey is PCKNRUSENZWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-13-7-8(14(2)10(13)17)12-9(11-7)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione?
4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione has a molecular weight of 255.35 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-morpholin-4-yl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-5-thione is sourced from PubChem (CID 155815776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).