2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C10H13NO2S — CID 70884382

IUPAC2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1OC(c2cc3c(s2)CCNC3)O1
InChIInChI=1S/C10H13NO2S/c1-6-12-10(13-6)9-4-7-5-11-3-2-8(7)14-9/h4,6,10-11H,2-3,5H2,1H3
InChIKeyAVHZOZZVLPRTKO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.79
Rot. Bonds1

About 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 70884382) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID70884382
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1OC(c2cc3c(s2)CCNC3)O1
InChIInChI=1S/C10H13NO2S/c1-6-12-10(13-6)9-4-7-5-11-3-2-8(7)14-9/h4,6,10-11H,2-3,5H2,1H3
InChIKeyAVHZOZZVLPRTKO-UHFFFAOYSA-N
XLogP1.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Related Compounds

4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate
CID 122444725
[Hydroxy(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl] 2,2,2-trifluoroacetate
CID 140291698
Methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl carbonate;hydrochloride
CID 21666250
2-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2-yl)morpholine
CID 67382612
(4,5,6,7-Tetrahydrothieno[3,2-C]pyridin-2-YL)methanol
CID 72218747
4-(Phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 141495737
(4-sulfanylidene-6,7-dihydro-5H-thieno[3,2-c]pyridin-2-yl)methyl carbamate
CID 169764591
2-(Ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
CID 170959450
2-[2-(ethoxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanamine
CID 170959560
Methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl carbonate
CID 21666251
ethyl 3-(((6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methyl)amino)propanoate
CID 53397588
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80719994

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 70884382) is 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1OC(c2cc3c(s2)CCNC3)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is AVHZOZZVLPRTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-12-10(13-6)9-4-7-5-11-3-2-8(7)14-9/h4,6,10-11H,2-3,5H2,1H3.
What are the key properties of 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 211.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 70884382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).