2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine

C6H7NO2S — CID 139489964

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine
SMILESNC1COc2cscc2O1
InChIInChI=1S/C6H7NO2S/c7-6-1-8-4-2-10-3-5(4)9-6/h2-3,6H,1,7H2
InChIKeyICYIADGTMHDTSJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.80
Rot. Bonds

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine

2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine (PubChem CID 139489964) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine
PubChem CID139489964
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine
SMILESNC1COc2cscc2O1
InChIInChI=1S/C6H7NO2S/c7-6-1-8-4-2-10-3-5(4)9-6/h2-3,6H,1,7H2
InChIKeyICYIADGTMHDTSJ-UHFFFAOYSA-N
XLogP0.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)-N,N-dimethylmethanamine
CID 140918488
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanesulfonic acid
CID 118522969
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
CID 86096746
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 21022197
3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118522965
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745535
methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 157072268
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
CID 146619151
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
CID 20758010

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine (CID 139489964) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine is NC1COc2cscc2O1.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine?
The InChIKey is ICYIADGTMHDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c7-6-1-8-4-2-10-3-5(4)9-6/h2-3,6H,1,7H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine?
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine has a molecular weight of 157.19 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine is sourced from PubChem (CID 139489964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).