4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one

C20H29NO2S — CID 957256

IUPAC4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OC)cc1
InChIInChI=1S/C20H29NO2S/c1-5-19(2,3)15-10-12-20(13-11-15)21(18(22)14-24-20)16-6-8-17(23-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3
InChIKeySRADCZJENFGQIR-UHFFFAOYSA-N
MW347.52 g/mol
LogP5.10
Rot. Bonds4

About 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 957256) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID957256
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OC)cc1
InChIInChI=1S/C20H29NO2S/c1-5-19(2,3)15-10-12-20(13-11-15)21(18(22)14-24-20)16-6-8-17(23-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3
InChIKeySRADCZJENFGQIR-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 134126334
8-ethylsulfonyl-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113243
4-(4-methoxyphenyl)-8-octanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112894
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882941
8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113265
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112907
8-(2-chloro-2-phenylacetyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112912
8-(3,3-dimethylbutanoyl)-4-(3-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882872
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 55395084
2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63471772
4-(4-chlorophenyl)-8-(3,3-dimethylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112815
4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112830

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 957256) is 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one is CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is SRADCZJENFGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-5-19(2,3)15-10-12-20(13-11-15)21(18(22)14-24-20)16-6-8-17(23-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 347.52 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).