2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C16H24N4O3S — CID 72896487

IUPAC2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)c3snnc3C)CC2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-12-14(24-18-17-12)15(22)19-7-4-16(5-8-19)10-13(21)20(11-16)6-3-9-23-2/h3-11H2,1-2H3
InChIKeyNQFXQXWPXIJZNW-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.34
Rot. Bonds5

About 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72896487) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72896487
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)c3snnc3C)CC2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-12-14(24-18-17-12)15(22)19-7-4-16(5-8-19)10-13(21)20(11-16)6-3-9-23-2/h3-11H2,1-2H3
InChIKeyNQFXQXWPXIJZNW-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72896487) is 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)c3snnc3C)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NQFXQXWPXIJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-12-14(24-18-17-12)15(22)19-7-4-16(5-8-19)10-13(21)20(11-16)6-3-9-23-2/h3-11H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72896487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).