3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione

C13H24N4S — CID 165344788

IUPAC3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione
SMILESCN1CCC2(CC1)NC(=S)C1(CCN(C)CC1)N2
InChIInChI=1S/C13H24N4S/c1-16-7-3-12(4-8-16)11(18)14-13(15-12)5-9-17(2)10-6-13/h15H,3-10H2,1-2H3,(H,14,18)
InChIKeyIHMMYTDFJWLJNU-UHFFFAOYSA-N
MW268.43 g/mol
LogP0.39
Rot. Bonds

About 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione

3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione (PubChem CID 165344788) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione.

Molecular Properties

Compound Name3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione
PubChem CID165344788
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione
SMILESCN1CCC2(CC1)NC(=S)C1(CCN(C)CC1)N2
InChIInChI=1S/C13H24N4S/c1-16-7-3-12(4-8-16)11(18)14-13(15-12)5-9-17(2)10-6-13/h15H,3-10H2,1-2H3,(H,14,18)
InChIKeyIHMMYTDFJWLJNU-UHFFFAOYSA-N
XLogP0.39
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione?
The IUPAC name of 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione (CID 165344788) is 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione.
What is the SMILES notation for 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione?
The canonical SMILES for 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione is CN1CCC2(CC1)NC(=S)C1(CCN(C)CC1)N2.
What is the InChIKey of 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione?
The InChIKey is IHMMYTDFJWLJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-16-7-3-12(4-8-16)11(18)14-13(15-12)5-9-17(2)10-6-13/h15H,3-10H2,1-2H3,(H,14,18).
What are the key properties of 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione?
3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione has a molecular weight of 268.43 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione is sourced from PubChem (CID 165344788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).