4-(thiolan-3-yl)piperidine

C9H17NS — CID 82411964

IUPAC4-(thiolan-3-yl)piperidine
SMILESC1CC(C2CCSC2)CCN1
InChIInChI=1S/C9H17NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-10H,1-7H2
InChIKeyCMJYYHNDMNBGBV-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.74
Rot. Bonds1

About 4-(thiolan-3-yl)piperidine

4-(thiolan-3-yl)piperidine (PubChem CID 82411964) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(thiolan-3-yl)piperidine.

Molecular Properties

Compound Name4-(thiolan-3-yl)piperidine
PubChem CID82411964
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(thiolan-3-yl)piperidine
SMILESC1CC(C2CCSC2)CCN1
InChIInChI=1S/C9H17NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-10H,1-7H2
InChIKeyCMJYYHNDMNBGBV-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yl)piperidine?
The IUPAC name of 4-(thiolan-3-yl)piperidine (CID 82411964) is 4-(thiolan-3-yl)piperidine.
What is the SMILES notation for 4-(thiolan-3-yl)piperidine?
The canonical SMILES for 4-(thiolan-3-yl)piperidine is C1CC(C2CCSC2)CCN1.
What is the InChIKey of 4-(thiolan-3-yl)piperidine?
The InChIKey is CMJYYHNDMNBGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-10H,1-7H2.
What are the key properties of 4-(thiolan-3-yl)piperidine?
4-(thiolan-3-yl)piperidine has a molecular weight of 171.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)piperidine is sourced from PubChem (CID 82411964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).