4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C20H26N2O2S — CID 46112775

IUPAC4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H26N2O2S/c23-18-15-25-20(22(18)14-16-6-2-1-3-7-16)10-12-21(13-11-20)19(24)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2
InChIKeyCRRREFSFTJZGEB-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.27
Rot. Bonds3

About 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112775) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112775
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H26N2O2S/c23-18-15-25-20(22(18)14-16-6-2-1-3-7-16)10-12-21(13-11-20)19(24)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2
InChIKeyCRRREFSFTJZGEB-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183
2-(4-Methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23877968
4-Benzyl-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112764
4H-1,3-Thiazin-4-one, tetrahydro-3-methyl-2-phenyl-
CID 101177
3-Benzyl-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 210689
3-[3-(Dimethylamino)propyl]-2-phenyl-1,3-thiazolidin-4-one
CID 126624
2-(2-Fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 644867

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112775) is 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(C1CCCC1)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CRRREFSFTJZGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-18-15-25-20(22(18)14-16-6-2-1-3-7-16)10-12-21(13-11-20)19(24)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2.
What are the key properties of 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).