8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C19H24N2O2S — CID 46112960

IUPAC8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCN(C(=O)C2CCC2)CC3)c1
InChIInChI=1S/C19H24N2O2S/c1-14-4-2-7-16(12-14)21-17(22)13-24-19(21)8-10-20(11-9-19)18(23)15-5-3-6-15/h2,4,7,12,15H,3,5-6,8-11,13H2,1H3
InChIKeyWYJJNCXDCURKCV-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.19
Rot. Bonds2

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

8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112960) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112960
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCN(C(=O)C2CCC2)CC3)c1
InChIInChI=1S/C19H24N2O2S/c1-14-4-2-7-16(12-14)21-17(22)13-24-19(21)8-10-20(11-9-19)18(23)15-5-3-6-15/h2,4,7,12,15H,3,5-6,8-11,13H2,1H3
InChIKeyWYJJNCXDCURKCV-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(3-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113142
4-(4-chlorophenyl)-8-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112809
N-butyl-4-(3-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113145
8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113248
N-(4-methylphenyl)-3-oxo-4-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42883197
N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113187
8-(3-chlorobenzoyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113011
8-(3,3-dimethylbutanoyl)-4-(3-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882872
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
cyclobutyl-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799404
N-(4-cyanophenyl)-4-(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882989

Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112960) is 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is Cc1cccc(N2C(=O)CSC23CCN(C(=O)C2CCC2)CC3)c1.
What is the InChIKey of 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WYJJNCXDCURKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-4-2-7-16(12-14)21-17(22)13-24-19(21)8-10-20(11-9-19)18(23)15-5-3-6-15/h2,4,7,12,15H,3,5-6,8-11,13H2,1H3.
What are the key properties of 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.48 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).