2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

C12H24N2O2S — CID 51359858

IUPAC2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCCCC2)CS1(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-2-3-9-14-10-12(11-17(14,15)16)13-7-5-4-6-8-13/h12H,2-11H2,1H3
InChIKeyVOVULTTXWPAFJU-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.29
Rot. Bonds4

About 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359858) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359858
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCCCC2)CS1(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-2-3-9-14-10-12(11-17(14,15)16)13-7-5-4-6-8-13/h12H,2-11H2,1H3
InChIKeyVOVULTTXWPAFJU-UHFFFAOYSA-N
XLogP1.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide with MolForge

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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-[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-Cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360714
1-(Pentan-3-yl)-4-(propylsulfonyl)piperazine
CID 1529500
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
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
8-Methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 134379972
Sdccgsbi-0662591.P001
CID 134791064
1-Cyclopentyl-4-(ethylsulfonyl)piperazine
CID 740709

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51359858) is 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCCCC2)CS1(=O)=O.
What is the InChIKey of 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is VOVULTTXWPAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-3-9-14-10-12(11-17(14,15)16)13-7-5-4-6-8-13/h12H,2-11H2,1H3.
What are the key properties of 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).