2-(oxathiiran-3-yl)piperidine

C6H11NOS — CID 174861042

IUPAC2-(oxathiiran-3-yl)piperidine
SMILESC1CCC(C2OS2)NC1
InChIInChI=1S/C6H11NOS/c1-2-4-7-5(3-1)6-8-9-6/h5-7H,1-4H2
InChIKeyJESMHQQGHZEQOH-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.13
Rot. Bonds1

About 2-(oxathiiran-3-yl)piperidine

2-(oxathiiran-3-yl)piperidine (PubChem CID 174861042) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-(oxathiiran-3-yl)piperidine.

Molecular Properties

Compound Name2-(oxathiiran-3-yl)piperidine
PubChem CID174861042
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-(oxathiiran-3-yl)piperidine
SMILESC1CCC(C2OS2)NC1
InChIInChI=1S/C6H11NOS/c1-2-4-7-5(3-1)6-8-9-6/h5-7H,1-4H2
InChIKeyJESMHQQGHZEQOH-UHFFFAOYSA-N
XLogP1.13
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
2-cycloheptylpiperidine;hydrochloride
CID 115030388
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093
2-(2H-oxet-2-yl)piperidine
CID 150407641
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
CID 12014113
2-cyclopentylpyrrolidine
CID 4031549
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-piperidin-2-yl-1,3-oxazinane;hydrochloride
CID 117225945

Frequently Asked Questions

What is the IUPAC name of 2-(oxathiiran-3-yl)piperidine?
The IUPAC name of 2-(oxathiiran-3-yl)piperidine (CID 174861042) is 2-(oxathiiran-3-yl)piperidine.
What is the SMILES notation for 2-(oxathiiran-3-yl)piperidine?
The canonical SMILES for 2-(oxathiiran-3-yl)piperidine is C1CCC(C2OS2)NC1.
What is the InChIKey of 2-(oxathiiran-3-yl)piperidine?
The InChIKey is JESMHQQGHZEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-4-7-5(3-1)6-8-9-6/h5-7H,1-4H2.
What are the key properties of 2-(oxathiiran-3-yl)piperidine?
2-(oxathiiran-3-yl)piperidine has a molecular weight of 145.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxathiiran-3-yl)piperidine is sourced from PubChem (CID 174861042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).