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

C18H34N4O2S — CID 51360713

IUPAC2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C18H34N4O2S/c1-19-8-6-16(7-9-19)20-10-12-21(13-11-20)18-14-22(25(23,24)15-18)17-4-2-3-5-17/h16-18H,2-15H2,1H3
InChIKeyWUZWDKZDZDOIFY-UHFFFAOYSA-N
MW370.56 g/mol
LogP0.65
Rot. Bonds3

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

2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360713) has the molecular formula C18H34N4O2S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360713
Molecular FormulaC18H34N4O2S
Molecular Weight370.56 g/mol
Exact Mass370.24
IUPAC Name2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C18H34N4O2S/c1-19-8-6-16(7-9-19)20-10-12-21(13-11-20)18-14-22(25(23,24)15-18)17-4-2-3-5-17/h16-18H,2-15H2,1H3
InChIKeyWUZWDKZDZDOIFY-UHFFFAOYSA-N
XLogP0.65
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51360713) is 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is CN1CCC(N2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1.
What is the InChIKey of 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WUZWDKZDZDOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2S/c1-19-8-6-16(7-9-19)20-10-12-21(13-11-20)18-14-22(25(23,24)15-18)17-4-2-3-5-17/h16-18H,2-15H2,1H3.
What are the key properties of 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 370.56 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).