[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane

C15H24N2O3S — CID 162070897

About [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane

[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane (PubChem CID 162070897) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane.

Molecular Properties

• Compound Name: [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
• PubChem CID: 162070897
• Molecular Formula: C15H24N2O3S
• Molecular Weight: 312.44 g/mol
• Exact Mass: 312.15
• IUPAC Name: [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
• SMILES: CC(c1ccc2c(n1)OCCO2)N1CCC[C@H](CO)C1.S
• InChI: InChI=1S/C15H22N2O3.H2S/c1-11(17-6-2-3-12(9-17)10-18)13-4-5-14-15(16-13)20-8-7-19-14;/h4-5,11-12,18H,2-3,6-10H2,1H3;1H2/t11?,12-;/m0./s1
• InChIKey: ZBBJLSYQCXTKHY-MMFRDWCLSA-N
• XLogP: 1.73
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.44
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane?

The IUPAC name of [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane (CID 162070897) is [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane.

What is the SMILES notation for [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane?

The canonical SMILES for [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane is CC(c1ccc2c(n1)OCCO2)N1CCC[C@H](CO)C1.S.

What is the InChIKey of [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane?

The InChIKey is ZBBJLSYQCXTKHY-MMFRDWCLSA-N. The full InChI is InChI=1S/C15H22N2O3.H2S/c1-11(17-6-2-3-12(9-17)10-18)13-4-5-14-15(16-13)20-8-7-19-14;/h4-5,11-12,18H,2-3,6-10H2,1H3;1H2/t11?,12-;/m0./s1.

What are the key properties of [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane?

[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane has a molecular weight of 312.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane is sourced from PubChem (CID 162070897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).