2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C17H24N2O3S — CID 118739681

IUPAC2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3
InChIKeyUHQWVDYYKRITOX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.38
Rot. Bonds5

About 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118739681) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118739681
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3
InChIKeyUHQWVDYYKRITOX-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118739681) is 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is UHQWVDYYKRITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 336.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118739681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).