2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione

C8H15N3S — CID 723561

IUPAC2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione
SMILESCN1NC2(CCCCC2)NC1=S
InChIInChI=1S/C8H15N3S/c1-11-7(12)9-8(10-11)5-3-2-4-6-8/h10H,2-6H2,1H3,(H,9,12)
InChIKeyUCTFTVQRMRIXOB-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.97
Rot. Bonds

About 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione

2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione (PubChem CID 723561) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione.

Molecular Properties

Compound Name2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione
PubChem CID723561
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione
SMILESCN1NC2(CCCCC2)NC1=S
InChIInChI=1S/C8H15N3S/c1-11-7(12)9-8(10-11)5-3-2-4-6-8/h10H,2-6H2,1H3,(H,9,12)
InChIKeyUCTFTVQRMRIXOB-UHFFFAOYSA-N
XLogP0.97
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The IUPAC name of 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione (CID 723561) is 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione.
What is the SMILES notation for 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The canonical SMILES for 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione is CN1NC2(CCCCC2)NC1=S.
What is the InChIKey of 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The InChIKey is UCTFTVQRMRIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-11-7(12)9-8(10-11)5-3-2-4-6-8/h10H,2-6H2,1H3,(H,9,12).
What are the key properties of 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione?
2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione has a molecular weight of 185.30 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,4-triazaspiro[4.5]decane-3-thione is sourced from PubChem (CID 723561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).