2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide

C8H17N3O2S — CID 57257125

IUPAC2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1C1CCNCC1
InChIInChI=1S/C8H17N3O2S/c12-14(13)10-4-1-7-11(14)8-2-5-9-6-3-8/h8-10H,1-7H2
InChIKeyQLJDHHMPEOVIRY-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.72
Rot. Bonds1

About 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide

2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 57257125) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID57257125
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1C1CCNCC1
InChIInChI=1S/C8H17N3O2S/c12-14(13)10-4-1-7-11(14)8-2-5-9-6-3-8/h8-10H,1-7H2
InChIKeyQLJDHHMPEOVIRY-UHFFFAOYSA-N
XLogP-0.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide (CID 57257125) is 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)NCCCN1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is QLJDHHMPEOVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c12-14(13)10-4-1-7-11(14)8-2-5-9-6-3-8/h8-10H,1-7H2.
What are the key properties of 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide?
2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 219.31 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 57257125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).