4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine

C10H11N3O2S — CID 66612740

IUPAC4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine
SMILESC1=C(c2cccc(N3OSO3)n2)CCNC1
InChIInChI=1S/C10H11N3O2S/c1-2-9(8-4-6-11-7-5-8)12-10(3-1)13-14-16-15-13/h1-4,11H,5-7H2
InChIKeyGGVCKVBVFWMEHC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.70
Rot. Bonds2

About 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine

4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine (PubChem CID 66612740) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine.

Molecular Properties

Compound Name4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine
PubChem CID66612740
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine
SMILESC1=C(c2cccc(N3OSO3)n2)CCNC1
InChIInChI=1S/C10H11N3O2S/c1-2-9(8-4-6-11-7-5-8)12-10(3-1)13-14-16-15-13/h1-4,11H,5-7H2
InChIKeyGGVCKVBVFWMEHC-UHFFFAOYSA-N
XLogP1.70
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine?
The IUPAC name of 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine (CID 66612740) is 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine.
What is the SMILES notation for 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine?
The canonical SMILES for 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine is C1=C(c2cccc(N3OSO3)n2)CCNC1.
What is the InChIKey of 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine?
The InChIKey is GGVCKVBVFWMEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-2-9(8-4-6-11-7-5-8)12-10(3-1)13-14-16-15-13/h1-4,11H,5-7H2.
What are the key properties of 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine?
4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine has a molecular weight of 237.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine is sourced from PubChem (CID 66612740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).