2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole

C7H11N2OS+ — CID 14744468

IUPAC2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole
SMILESc1nsc(=[N+]2CCCCC2)o1
InChIInChI=1S/C7H11N2OS/c1-2-4-9(5-3-1)7-10-6-8-11-7/h6H,1-5H2/q+1
InChIKeyGNUTVVFAPQHIQZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds

About 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole

2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole (PubChem CID 14744468) has the molecular formula C7H11N2OS+ and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole
PubChem CID14744468
Molecular FormulaC7H11N2OS+
Molecular Weight171.24 g/mol
Exact Mass171.06
IUPAC Name2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole
SMILESc1nsc(=[N+]2CCCCC2)o1
InChIInChI=1S/C7H11N2OS/c1-2-4-9(5-3-1)7-10-6-8-11-7/h6H,1-5H2/q+1
InChIKeyGNUTVVFAPQHIQZ-UHFFFAOYSA-N
XLogP0.69
TPSA29.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole?
The IUPAC name of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole (CID 14744468) is 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole.
What is the SMILES notation for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole?
The canonical SMILES for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole is c1nsc(=[N+]2CCCCC2)o1.
What is the InChIKey of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole?
The InChIKey is GNUTVVFAPQHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2OS/c1-2-4-9(5-3-1)7-10-6-8-11-7/h6H,1-5H2/q+1.
What are the key properties of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole?
2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole has a molecular weight of 171.24 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole is sourced from PubChem (CID 14744468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).