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

C9H18N2O2S — CID 59254832

IUPAC2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-10-6-3-9(4-7-10)11-5-2-8-14(11,12)13/h9H,2-8H2,1H3
InChIKeyROTVLQNBQWKRCM-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.12
Rot. Bonds1

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

2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59254832) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59254832
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-10-6-3-9(4-7-10)11-5-2-8-14(11,12)13/h9H,2-8H2,1H3
InChIKeyROTVLQNBQWKRCM-UHFFFAOYSA-N
XLogP0.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide (CID 59254832) is 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide is CN1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ROTVLQNBQWKRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10-6-3-9(4-7-10)11-5-2-8-14(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59254832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).