2-(thiolan-2-yl)piperidine

C9H17NS — CID 123568841

IUPAC2-(thiolan-2-yl)piperidine
SMILESC1CCC(C2CCCS2)NC1
InChIInChI=1S/C9H17NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-10H,1-7H2
InChIKeyWWRZFKQXRMTWEC-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.02
Rot. Bonds1

About 2-(thiolan-2-yl)piperidine

2-(thiolan-2-yl)piperidine (PubChem CID 123568841) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(thiolan-2-yl)piperidine.

Molecular Properties

Compound Name2-(thiolan-2-yl)piperidine
PubChem CID123568841
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(thiolan-2-yl)piperidine
SMILESC1CCC(C2CCCS2)NC1
InChIInChI=1S/C9H17NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-10H,1-7H2
InChIKeyWWRZFKQXRMTWEC-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)piperidine?
The IUPAC name of 2-(thiolan-2-yl)piperidine (CID 123568841) is 2-(thiolan-2-yl)piperidine.
What is the SMILES notation for 2-(thiolan-2-yl)piperidine?
The canonical SMILES for 2-(thiolan-2-yl)piperidine is C1CCC(C2CCCS2)NC1.
What is the InChIKey of 2-(thiolan-2-yl)piperidine?
The InChIKey is WWRZFKQXRMTWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-10H,1-7H2.
What are the key properties of 2-(thiolan-2-yl)piperidine?
2-(thiolan-2-yl)piperidine has a molecular weight of 171.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)piperidine is sourced from PubChem (CID 123568841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).