1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one

C19H28N2OS — CID 169318534

IUPAC1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)SCCN2Cc1ccccc1
InChIInChI=1S/C19H28N2OS/c1-18(2,3)17(22)20-11-9-19(10-12-20)21(13-14-23-19)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyQEIQXTNKEASPLD-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one

1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one (PubChem CID 169318534) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
PubChem CID169318534
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)SCCN2Cc1ccccc1
InChIInChI=1S/C19H28N2OS/c1-18(2,3)17(22)20-11-9-19(10-12-20)21(13-14-23-19)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyQEIQXTNKEASPLD-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(4-benzyl-1-thia-4,7-diazaspiro[4.4]nonan-7-yl)-3-hydroxypropan-1-one
CID 169318495
2,2-dimethyl-1-[4-(2-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3248136
1-[4-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 169318628
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
CID 169318639
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
4-benzyl-1-thia-4,9-diazaspiro[4.5]decane
CID 169318676
2,2-dimethyl-1-[4-(4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 4242317
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
1-[4-(2-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 42774000
8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27397403
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one (CID 169318534) is 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)SCCN2Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
The InChIKey is QEIQXTNKEASPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-18(2,3)17(22)20-11-9-19(10-12-20)21(13-14-23-19)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3.
What are the key properties of 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one has a molecular weight of 332.51 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 169318534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).