2-(thiolan-3-yl)piperidine

C9H17NS — CID 82653358

IUPAC2-(thiolan-3-yl)piperidine
SMILESC1CCC(C2CCSC2)NC1
InChIInChI=1S/C9H17NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h8-10H,1-7H2
InChIKeyPNEJTYBMFCCJCN-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds1

About 2-(thiolan-3-yl)piperidine

2-(thiolan-3-yl)piperidine (PubChem CID 82653358) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(thiolan-3-yl)piperidine.

Molecular Properties

Compound Name2-(thiolan-3-yl)piperidine
PubChem CID82653358
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(thiolan-3-yl)piperidine
SMILESC1CCC(C2CCSC2)NC1
InChIInChI=1S/C9H17NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h8-10H,1-7H2
InChIKeyPNEJTYBMFCCJCN-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclodecylazecane
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(2S)-2-cyclohexylpiperidine
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(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
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2-cycloheptylpiperidine;hydrochloride
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2-cyclopentylpyrrolidine
CID 4031549
2-pyrrolidin-2-ylpiperidine
CID 14810994
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-piperidin-4-ylpiperidine;dihydrochloride
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3-cyclobutylthiomorpholine
CID 105430849

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)piperidine?
The IUPAC name of 2-(thiolan-3-yl)piperidine (CID 82653358) is 2-(thiolan-3-yl)piperidine.
What is the SMILES notation for 2-(thiolan-3-yl)piperidine?
The canonical SMILES for 2-(thiolan-3-yl)piperidine is C1CCC(C2CCSC2)NC1.
What is the InChIKey of 2-(thiolan-3-yl)piperidine?
The InChIKey is PNEJTYBMFCCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h8-10H,1-7H2.
What are the key properties of 2-(thiolan-3-yl)piperidine?
2-(thiolan-3-yl)piperidine has a molecular weight of 171.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)piperidine is sourced from PubChem (CID 82653358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).