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

C19H36N4O2S — CID 51359914

IUPAC2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(C4CCCCC4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C19H36N4O2S/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)19-15-23(26(24,25)16-19)18-5-3-2-4-6-18/h17-19H,2-16H2,1H3
InChIKeyRZSBZGNRTACBEO-UHFFFAOYSA-N
MW384.59 g/mol
LogP1.04
Rot. Bonds3

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

2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359914) has the molecular formula C19H36N4O2S and a molecular weight of 384.59 g/mol. Its IUPAC name is 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359914
Molecular FormulaC19H36N4O2S
Molecular Weight384.59 g/mol
Exact Mass384.26
IUPAC Name2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(C4CCCCC4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C19H36N4O2S/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)19-15-23(26(24,25)16-19)18-5-3-2-4-6-18/h17-19H,2-16H2,1H3
InChIKeyRZSBZGNRTACBEO-UHFFFAOYSA-N
XLogP1.04
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51359914) is 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is CN1CCC(N2CCN(C3CN(C4CCCCC4)S(=O)(=O)C3)CC2)CC1.
What is the InChIKey of 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is RZSBZGNRTACBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2S/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)19-15-23(26(24,25)16-19)18-5-3-2-4-6-18/h17-19H,2-16H2,1H3.
What are the key properties of 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 384.59 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).