3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione

C16H23N3O3S2 — CID 18133819

IUPAC3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1
InChIInChI=1S/C16H23N3O3S2/c1-13-3-4-14(2)15(11-13)24(20,21)19-7-5-17(6-8-19)12-18-9-10-22-16(18)23/h3-4,11H,5-10,12H2,1-2H3
InChIKeyZZZHBCSOCBERDM-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.18
Rot. Bonds4

About 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione

3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione (PubChem CID 18133819) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
PubChem CID18133819
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1
InChIInChI=1S/C16H23N3O3S2/c1-13-3-4-14(2)15(11-13)24(20,21)19-7-5-17(6-8-19)12-18-9-10-22-16(18)23/h3-4,11H,5-10,12H2,1-2H3
InChIKeyZZZHBCSOCBERDM-UHFFFAOYSA-N
XLogP1.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione 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

3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133839
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133827
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8694159
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione
CID 9235540
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26941258
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
4-benzyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione
CID 26941317
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The IUPAC name of 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione (CID 18133819) is 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione.
What is the SMILES notation for 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The canonical SMILES for 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione is Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1.
What is the InChIKey of 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
The InChIKey is ZZZHBCSOCBERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-13-3-4-14(2)15(11-13)24(20,21)19-7-5-17(6-8-19)12-18-9-10-22-16(18)23/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione?
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione has a molecular weight of 369.51 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione is sourced from PubChem (CID 18133819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).