1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one

C23H40N2O2S — CID 3945946

IUPAC1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC2(CC1)SCCN2C(=O)C1CCCC1
InChIInChI=1S/C23H40N2O2S/c1-2-3-4-5-6-7-8-13-21(26)24-16-14-23(15-17-24)25(18-19-28-23)22(27)20-11-9-10-12-20/h20H,2-19H2,1H3
InChIKeyUOOPKRXJZKOVAM-UHFFFAOYSA-N
MW408.65 g/mol
LogP5.21
Rot. Bonds9

About 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one

1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one (PubChem CID 3945946) has the molecular formula C23H40N2O2S and a molecular weight of 408.65 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one
PubChem CID3945946
Molecular FormulaC23H40N2O2S
Molecular Weight408.65 g/mol
Exact Mass408.28
IUPAC Name1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC2(CC1)SCCN2C(=O)C1CCCC1
InChIInChI=1S/C23H40N2O2S/c1-2-3-4-5-6-7-8-13-21(26)24-16-14-23(15-17-24)25(18-19-28-23)22(27)20-11-9-10-12-20/h20H,2-19H2,1H3
InChIKeyUOOPKRXJZKOVAM-UHFFFAOYSA-N
XLogP5.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.65
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]hexan-1-one
CID 3914002
1-[4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]heptan-1-one
CID 3636837
1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethylhexan-1-one
CID 5022292
1-[4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]nonan-1-one
CID 42773806
1-[4-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]nonan-1-one
CID 5020903
1-[4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-8-yl]octan-1-one
CID 6187833
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3877023
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]octan-1-one
CID 4543860
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 5022310
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one (CID 3945946) is 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one is CCCCCCCCCC(=O)N1CCC2(CC1)SCCN2C(=O)C1CCCC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one?
The InChIKey is UOOPKRXJZKOVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2S/c1-2-3-4-5-6-7-8-13-21(26)24-16-14-23(15-17-24)25(18-19-28-23)22(27)20-11-9-10-12-20/h20H,2-19H2,1H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one?
1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one has a molecular weight of 408.65 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]decan-1-one is sourced from PubChem (CID 3945946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).