2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide

C9H18N2O2S — CID 114697579

IUPAC2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC1(N2CCCS2(=O)=O)CCNCC1
InChIInChI=1S/C9H18N2O2S/c1-9(3-5-10-6-4-9)11-7-2-8-14(11,12)13/h10H,2-8H2,1H3
InChIKeyMADKVAKBAGAUOC-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds1

About 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide

2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 114697579) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID114697579
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC1(N2CCCS2(=O)=O)CCNCC1
InChIInChI=1S/C9H18N2O2S/c1-9(3-5-10-6-4-9)11-7-2-8-14(11,12)13/h10H,2-8H2,1H3
InChIKeyMADKVAKBAGAUOC-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
CID 61123775
1-(3-methylpyrrolidin-3-yl)piperidine;dihydrochloride
CID 153353229
[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
CID 115309158
3-(3-methylpyrrolidin-3-yl)-1,3-oxazolidin-2-one
CID 107426284
1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822
5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
CID 114697565
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
4,4-dimethyl-1-(4-methylpiperidin-4-yl)piperidine-2,6-dione
CID 114697504
1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
CID 143776516
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635208

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide (CID 114697579) is 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide is CC1(N2CCCS2(=O)=O)CCNCC1.
What is the InChIKey of 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MADKVAKBAGAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(3-5-10-6-4-9)11-7-2-8-14(11,12)13/h10H,2-8H2,1H3.
What are the key properties of 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 114697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).