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

C21H24N2O4S2 — CID 46113265

IUPAC8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4S2/c1-16-3-5-17(6-4-16)23-20(24)15-28-21(23)11-13-22(14-12-21)29(25,26)19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3
InChIKeySYTCTEDJKBRSMO-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.26
Rot. Bonds4

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

8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46113265) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46113265
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC Name8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4S2/c1-16-3-5-17(6-4-16)23-20(24)15-28-21(23)11-13-22(14-12-21)29(25,26)19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3
InChIKeySYTCTEDJKBRSMO-UHFFFAOYSA-N
XLogP3.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethylsulfonyl-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113243
4-(4-methoxyphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 134126334
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-2-methylpropan-1-one
CID 3981006
4-(4-methoxyphenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 957256
4-(4-methoxyphenyl)-8-octanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112894
N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113187
8-(2-chloro-2-phenylacetyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112912
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
4-[2-(4-methoxyphenyl)ethynyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 162402019

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46113265) is 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is COc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SYTCTEDJKBRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-16-3-5-17(6-4-16)23-20(24)15-28-21(23)11-13-22(14-12-21)29(25,26)19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 432.57 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46113265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).