4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one

C20H37NOS — CID 15955375

IUPAC4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCCCCCCCCCCCN1C(=O)CSC12CCCCC2
InChIInChI=1S/C20H37NOS/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(22)18-23-20(21)15-12-11-13-16-20/h2-18H2,1H3
InChIKeyYEJHIUYKAVUTSR-UHFFFAOYSA-N
MW339.59 g/mol
LogP6.14
Rot. Bonds11

About 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one

4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 15955375) has the molecular formula C20H37NOS and a molecular weight of 339.59 g/mol. Its IUPAC name is 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID15955375
Molecular FormulaC20H37NOS
Molecular Weight339.59 g/mol
Exact Mass339.26
IUPAC Name4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCCCCCCCCCCCN1C(=O)CSC12CCCCC2
InChIInChI=1S/C20H37NOS/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(22)18-23-20(21)15-12-11-13-16-20/h2-18H2,1H3
InChIKeyYEJHIUYKAVUTSR-UHFFFAOYSA-N
XLogP6.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.59
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Octyl-4-thia-1-azaspiro[4.5]decan-2-one
CID 11312125
2-Cyclohexylsulfanyl-1-pyrrolidin-1-ylethanone
CID 2402560
1,2-Decylthioethylazacyclopentane-2-on
CID 22633677
4-[2-(Dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640089
4-[3-(Dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640104
1-(2-Heptyl-1,3-thiazolidin-3-yl)ethanone
CID 170854510
3-Methyl-1-octyl-4-thia-1-azaspiro[4.5]decan-2-one
CID 15955374
1-Dodecyl-3-methyl-4-thia-1-azaspiro[4.5]decan-2-one
CID 15955376
1-Octyl-4-oxo-4$l^{4}-thia-1-azaspiro[4.5]decan-2-one
CID 15955377
1-Octyl-4,4-dioxo-4$l^{6}-thia-1-azaspiro[4.5]decan-2-one
CID 15955378
3-Octadecyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365259
1-(10-Cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione
CID 21260155

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 15955375) is 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one is CCCCCCCCCCCCN1C(=O)CSC12CCCCC2.
What is the InChIKey of 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is YEJHIUYKAVUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NOS/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(22)18-23-20(21)15-12-11-13-16-20/h2-18H2,1H3.
What are the key properties of 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one?
4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 339.59 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 15955375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).