2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide

C12H25N3O2S — CID 67080689

IUPAC2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESO=S1(=O)CCNCCN1CCCN1CCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17)12-6-13-5-11-15(18)10-4-9-14-7-2-1-3-8-14/h13H,1-12H2
InChIKeyVICRYBKACATJAI-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.10
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide

2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 67080689) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID67080689
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESO=S1(=O)CCNCCN1CCCN1CCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17)12-6-13-5-11-15(18)10-4-9-14-7-2-1-3-8-14/h13H,1-12H2
InChIKeyVICRYBKACATJAI-UHFFFAOYSA-N
XLogP0.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 67080689) is 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide is O=S1(=O)CCNCCN1CCCN1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is VICRYBKACATJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c16-18(17)12-6-13-5-11-15(18)10-4-9-14-7-2-1-3-8-14/h13H,1-12H2.
What are the key properties of 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 275.42 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 67080689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).