2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

C17H34N4O2S — CID 51359857

IUPAC2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O
InChIInChI=1S/C17H34N4O2S/c1-3-4-7-21-14-17(15-24(21,22)23)20-12-10-19(11-13-20)16-5-8-18(2)9-6-16/h16-17H,3-15H2,1-2H3
InChIKeyCYQPQNAKWITNOF-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.51
Rot. Bonds5

About 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359857) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359857
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC Name2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O
InChIInChI=1S/C17H34N4O2S/c1-3-4-7-21-14-17(15-24(21,22)23)20-12-10-19(11-13-20)16-5-8-18(2)9-6-16/h16-17H,3-15H2,1-2H3
InChIKeyCYQPQNAKWITNOF-UHFFFAOYSA-N
XLogP0.51
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51359857) is 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O.
What is the InChIKey of 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CYQPQNAKWITNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-3-4-7-21-14-17(15-24(21,22)23)20-12-10-19(11-13-20)16-5-8-18(2)9-6-16/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 358.55 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).