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

C10H20N2O2S — CID 106996411

IUPAC2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
SMILESCC1CC(N2CCCCS2(=O)=O)CCN1
InChIInChI=1S/C10H20N2O2S/c1-9-8-10(4-5-11-9)12-6-2-3-7-15(12,13)14/h9-11H,2-8H2,1H3
InChIKeyZYXPYQHOJMFGDU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.55
Rot. Bonds1

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

2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide (PubChem CID 106996411) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
PubChem CID106996411
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
SMILESCC1CC(N2CCCCS2(=O)=O)CCN1
InChIInChI=1S/C10H20N2O2S/c1-9-8-10(4-5-11-9)12-6-2-3-7-15(12,13)14/h9-11H,2-8H2,1H3
InChIKeyZYXPYQHOJMFGDU-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide (CID 106996411) is 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide is CC1CC(N2CCCCS2(=O)=O)CCN1.
What is the InChIKey of 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide?
The InChIKey is ZYXPYQHOJMFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-8-10(4-5-11-9)12-6-2-3-7-15(12,13)14/h9-11H,2-8H2,1H3.
What are the key properties of 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide?
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide has a molecular weight of 232.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 106996411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).