1-(thiiran-2-ylmethyl)piperidine

C8H15NS — CID 15453882

IUPAC1-(thiiran-2-ylmethyl)piperidine
SMILESC1CCN(CC2CS2)CC1
InChIInChI=1S/C8H15NS/c1-2-4-9(5-3-1)6-8-7-10-8/h8H,1-7H2
InChIKeyOKAUPHPNQUSLGM-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.59
Rot. Bonds2

About 1-(thiiran-2-ylmethyl)piperidine

1-(thiiran-2-ylmethyl)piperidine (PubChem CID 15453882) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(thiiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(thiiran-2-ylmethyl)piperidine
PubChem CID15453882
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(thiiran-2-ylmethyl)piperidine
SMILESC1CCN(CC2CS2)CC1
InChIInChI=1S/C8H15NS/c1-2-4-9(5-3-1)6-8-7-10-8/h8H,1-7H2
InChIKeyOKAUPHPNQUSLGM-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiiran-2-ylmethyl)piperidine?
The IUPAC name of 1-(thiiran-2-ylmethyl)piperidine (CID 15453882) is 1-(thiiran-2-ylmethyl)piperidine.
What is the SMILES notation for 1-(thiiran-2-ylmethyl)piperidine?
The canonical SMILES for 1-(thiiran-2-ylmethyl)piperidine is C1CCN(CC2CS2)CC1.
What is the InChIKey of 1-(thiiran-2-ylmethyl)piperidine?
The InChIKey is OKAUPHPNQUSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-4-9(5-3-1)6-8-7-10-8/h8H,1-7H2.
What are the key properties of 1-(thiiran-2-ylmethyl)piperidine?
1-(thiiran-2-ylmethyl)piperidine has a molecular weight of 157.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiiran-2-ylmethyl)piperidine is sourced from PubChem (CID 15453882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).