4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C17H33N3OS — CID 162640089

IUPAC4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1CCC2(CC1)SCC(=O)N2CCN(C)C
InChIInChI=1S/C17H33N3OS/c1-4-5-6-7-10-19-11-8-17(9-12-19)20(14-13-18(2)3)16(21)15-22-17/h4-15H2,1-3H3
InChIKeyYECOAWNUMTYPMC-UHFFFAOYSA-N
MW327.54 g/mol
LogP2.50
Rot. Bonds8

About 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 162640089) has the molecular formula C17H33N3OS and a molecular weight of 327.54 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID162640089
Molecular FormulaC17H33N3OS
Molecular Weight327.54 g/mol
Exact Mass327.23
IUPAC Name4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCCCCN1CCC2(CC1)SCC(=O)N2CCN(C)C
InChIInChI=1S/C17H33N3OS/c1-4-5-6-7-10-19-11-8-17(9-12-19)20(14-13-18(2)3)16(21)15-22-17/h4-15H2,1-3H3
InChIKeyYECOAWNUMTYPMC-UHFFFAOYSA-N
XLogP2.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 52.50
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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Related Compounds

2-Butyl-3-(2-(piperidin-1-yl)ethyl)thiazolidin-4-one
CID 132277366
4-(2-(Piperidin-1-yl)ethyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 132280448
4-[3-(Dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640104
1-Dodecyl-4-thia-1-azaspiro[4.5]decan-2-one
CID 15955375
2,4,8-Trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097452
2-Ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
2-Methyl-1-[4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 42773978
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 4,8-dimethyl-
CID 45096689
4,8-Ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 58245198
Carbanide;4-ethyl-1-thia-4-aza-8-azanidaspiro[4.5]decan-3-one;yttrium
CID 58245597
3-(2-Piperidin-1-ylethyl)-2-propyl-1,3-thiazolidin-4-one
CID 87830052
2-Ethyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 87830058

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 162640089) is 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCCCCCN1CCC2(CC1)SCC(=O)N2CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YECOAWNUMTYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3OS/c1-4-5-6-7-10-19-11-8-17(9-12-19)20(14-13-18(2)3)16(21)15-22-17/h4-15H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 327.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 162640089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).