4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide

C18H29N3O2S — CID 51359859

IUPAC4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(Cc3ccccc3)CC2)CS1(=O)=O
InChIInChI=1S/C18H29N3O2S/c1-2-3-9-21-15-18(16-24(21,22)23)20-12-10-19(11-13-20)14-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3
InChIKeyGORHRLHGPFZFNJ-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.62
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide

4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359859) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359859
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(Cc3ccccc3)CC2)CS1(=O)=O
InChIInChI=1S/C18H29N3O2S/c1-2-3-9-21-15-18(16-24(21,22)23)20-12-10-19(11-13-20)14-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3
InChIKeyGORHRLHGPFZFNJ-UHFFFAOYSA-N
XLogP1.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide (CID 51359859) is 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCN(Cc3ccccc3)CC2)CS1(=O)=O.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is GORHRLHGPFZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-2-3-9-21-15-18(16-24(21,22)23)20-12-10-19(11-13-20)14-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide?
4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 351.52 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).