2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

C14H27N3O2S — CID 51359907

IUPAC2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C14H27N3O2S/c1-15-7-9-16(10-8-15)14-11-17(20(18,19)12-14)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyJZXVTGKTFLZAHR-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.58
Rot. Bonds2

About 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359907) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359907
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C14H27N3O2S/c1-15-7-9-16(10-8-15)14-11-17(20(18,19)12-14)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyJZXVTGKTFLZAHR-UHFFFAOYSA-N
XLogP0.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-Cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359915
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
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51359909
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
2-Cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359920
1-Cyclohexyl-4-(methylsulfonyl)piperazine
CID 787179
8-Methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 134379972
Sdccgsbi-0662591.P001
CID 134791064

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359907) is 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is CN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JZXVTGKTFLZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-15-7-9-16(10-8-15)14-11-17(20(18,19)12-14)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 301.46 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).