2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine

C14H21NO3S — CID 23201117

IUPAC2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine
SMILESCCOC1(c2ccccn2)COC(CC)(SCC)O1
InChIInChI=1S/C14H21NO3S/c1-4-14(19-6-3)17-11-13(18-14,16-5-2)12-9-7-8-10-15-12/h7-10H,4-6,11H2,1-3H3
InChIKeyBZFXXYDMXQQFSO-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine

2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine (PubChem CID 23201117) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine
PubChem CID23201117
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine
SMILESCCOC1(c2ccccn2)COC(CC)(SCC)O1
InChIInChI=1S/C14H21NO3S/c1-4-14(19-6-3)17-11-13(18-14,16-5-2)12-9-7-8-10-15-12/h7-10H,4-6,11H2,1-3H3
InChIKeyBZFXXYDMXQQFSO-UHFFFAOYSA-N
XLogP3.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyridinyl-1,3-dioxolane
CID 79773
2-(2-Methyl-1,3-dioxolan-2-yl)pyridine
CID 324521
3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole
CID 54769846
N-Methyl-2-(pyrid-2-yl)-1,3-oxathiane-2-carbothioamide
CID 13043967
2-(1,1-Dimethoxyethyl)-pyridine
CID 12749734
2-(Dimethoxymethyl)pyridine
CID 10953724
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine
CID 138975315
2-[5-(Trifluoromethylsulfanyl)pentoxymethyl]pyridine
CID 166443309
2-[(4S)-4,5-Dihydro-4-[2-(methylthio)ethyl]-2-oxazolyl]pyridine
CID 10609072
Pyridine, 2-(1-ethoxyethyl)-
CID 12317328
2-(Pyrid-2-yl)-1,3-oxathiane
CID 13720639
2-(1,4-Dioxan-2-yl)pyridine
CID 13898166

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine?
The IUPAC name of 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine (CID 23201117) is 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine.
What is the SMILES notation for 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine?
The canonical SMILES for 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine is CCOC1(c2ccccn2)COC(CC)(SCC)O1.
What is the InChIKey of 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine?
The InChIKey is BZFXXYDMXQQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-14(19-6-3)17-11-13(18-14,16-5-2)12-9-7-8-10-15-12/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine?
2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine has a molecular weight of 283.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-ethyl-2-ethylsulfanyl-1,3-dioxolan-4-yl)pyridine is sourced from PubChem (CID 23201117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).