2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

C15H32N4O2S — CID 51360720

IUPAC2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCCCN1CC(N2CCN(CCN(C)C)CC2)CS1(=O)=O
InChIInChI=1S/C15H32N4O2S/c1-4-5-6-19-13-15(14-22(19,20)21)18-11-9-17(10-12-18)8-7-16(2)3/h15H,4-14H2,1-3H3
InChIKeyLLRYODFFRILRIP-UHFFFAOYSA-N
MW332.51 g/mol
LogP-0.02
Rot. Bonds7

About 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51360720) has the molecular formula C15H32N4O2S and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51360720
Molecular FormulaC15H32N4O2S
Molecular Weight332.51 g/mol
Exact Mass332.22
IUPAC Name2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCCCN1CC(N2CCN(CCN(C)C)CC2)CS1(=O)=O
InChIInChI=1S/C15H32N4O2S/c1-4-5-6-19-13-15(14-22(19,20)21)18-11-9-17(10-12-18)8-7-16(2)3/h15H,4-14H2,1-3H3
InChIKeyLLRYODFFRILRIP-UHFFFAOYSA-N
XLogP-0.02
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-Butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359857
2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51360710
2-Butyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359855
2-Cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359912
Cambridge id 6502799
CID 1529500
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51359909
1-Cyclopentyl-4-(ethylsulfonyl)piperazine
CID 740709
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51359860
2-Cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360708

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 51360720) is 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is CCCCN1CC(N2CCN(CCN(C)C)CC2)CS1(=O)=O.
What is the InChIKey of 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is LLRYODFFRILRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2S/c1-4-5-6-19-13-15(14-22(19,20)21)18-11-9-17(10-12-18)8-7-16(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 332.51 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51360720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).