4-piperidin-4-ylthiane 1,1-dioxide

C10H19NO2S — CID 82614676

IUPAC4-piperidin-4-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-3-10(4-8-14)9-1-5-11-6-2-9/h9-11H,1-8H2
InChIKeyVQFJRMMKUYWAKG-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds1

About 4-piperidin-4-ylthiane 1,1-dioxide

4-piperidin-4-ylthiane 1,1-dioxide (PubChem CID 82614676) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-piperidin-4-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-piperidin-4-ylthiane 1,1-dioxide
PubChem CID82614676
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-piperidin-4-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-3-10(4-8-14)9-1-5-11-6-2-9/h9-11H,1-8H2
InChIKeyVQFJRMMKUYWAKG-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172779803
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5-methyl-4-(piperidin-4-ylmethyl)-1,4-thiazepane 1,1-dioxide;hydrochloride
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1-[(3R)-1,1-dioxothiolan-3-yl]-3-piperidin-4-ylurea
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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylthiane 1,1-dioxide?
The IUPAC name of 4-piperidin-4-ylthiane 1,1-dioxide (CID 82614676) is 4-piperidin-4-ylthiane 1,1-dioxide.
What is the SMILES notation for 4-piperidin-4-ylthiane 1,1-dioxide?
The canonical SMILES for 4-piperidin-4-ylthiane 1,1-dioxide is O=S1(=O)CCC(C2CCNCC2)CC1.
What is the InChIKey of 4-piperidin-4-ylthiane 1,1-dioxide?
The InChIKey is VQFJRMMKUYWAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-14(13)7-3-10(4-8-14)9-1-5-11-6-2-9/h9-11H,1-8H2.
What are the key properties of 4-piperidin-4-ylthiane 1,1-dioxide?
4-piperidin-4-ylthiane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylthiane 1,1-dioxide is sourced from PubChem (CID 82614676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).