1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide

C10H20N2O3S — CID 159717496

IUPAC1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCCCC1=O.CN1CCCS1(=O)=O
InChIInChI=1S/C6H11NO.C4H9NO2S/c1-7-5-3-2-4-6(7)8;1-5-3-2-4-8(5,6)7/h2-5H2,1H3;2-4H2,1H3
InChIKeyMZPPRUIDMBLYHB-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.28
Rot. Bonds

About 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide

1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 159717496) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID159717496
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCCCC1=O.CN1CCCS1(=O)=O
InChIInChI=1S/C6H11NO.C4H9NO2S/c1-7-5-3-2-4-6(7)8;1-5-3-2-4-8(5,6)7/h2-5H2,1H3;2-4H2,1H3
InChIKeyMZPPRUIDMBLYHB-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide (CID 159717496) is 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide is CN1CCCCC1=O.CN1CCCS1(=O)=O.
What is the InChIKey of 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MZPPRUIDMBLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H9NO2S/c1-7-5-3-2-4-6(7)8;1-5-3-2-4-8(5,6)7/h2-5H2,1H3;2-4H2,1H3.
What are the key properties of 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide?
1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 248.35 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-2-one;2-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 159717496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).