[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone

C21H23ClN2O3S2 — CID 3959670

IUPAC[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C21H23ClN2O3S2/c1-16-2-4-17(5-3-16)20(25)24-14-15-28-21(24)10-12-23(13-11-21)29(26,27)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3
InChIKeyTVOQWNWTUMXCKC-UHFFFAOYSA-N
MW451.01 g/mol
LogP4.02
Rot. Bonds3

About [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone

[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone (PubChem CID 3959670) has the molecular formula C21H23ClN2O3S2 and a molecular weight of 451.01 g/mol. Its IUPAC name is [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
PubChem CID3959670
Molecular FormulaC21H23ClN2O3S2
Molecular Weight451.01 g/mol
Exact Mass450.08
IUPAC Name[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C21H23ClN2O3S2/c1-16-2-4-17(5-3-16)20(25)24-14-15-28-21(24)10-12-23(13-11-21)29(26,27)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3
InChIKeyTVOQWNWTUMXCKC-UHFFFAOYSA-N
XLogP4.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[8-(4-methylphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
CID 3540254
(4-bromophenyl)-[8-(4-fluorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4551936
[8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
CID 3985831
[8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
CID 3273614
(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone
CID 5222252
1-[4-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 4034139
(2-chlorophenyl)-[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4554146
[4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 5214428
[4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 42774046
[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(3-nitrophenyl)methanone
CID 3484505
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
(4-chlorophenyl)-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4312387

Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone (CID 3959670) is [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.
What is the InChIKey of [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone?
The InChIKey is TVOQWNWTUMXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S2/c1-16-2-4-17(5-3-16)20(25)24-14-15-28-21(24)10-12-23(13-11-21)29(26,27)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3.
What are the key properties of [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone?
[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone has a molecular weight of 451.01 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3959670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).