[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine

C13H13NO3S — CID 55012009

IUPAC[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
SMILESNCc1cc2c(cc1OCc1ccsc1)OCO2
InChIInChI=1S/C13H13NO3S/c14-5-10-3-12-13(17-8-16-12)4-11(10)15-6-9-1-2-18-7-9/h1-4,7H,5-6,8,14H2
InChIKeyRDONUCKACMDWFB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.51
Rot. Bonds4

About [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine

[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine (PubChem CID 55012009) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
PubChem CID55012009
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
SMILESNCc1cc2c(cc1OCc1ccsc1)OCO2
InChIInChI=1S/C13H13NO3S/c14-5-10-3-12-13(17-8-16-12)4-11(10)15-6-9-1-2-18-7-9/h1-4,7H,5-6,8,14H2
InChIKeyRDONUCKACMDWFB-UHFFFAOYSA-N
XLogP2.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The IUPAC name of [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine (CID 55012009) is [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine.
What is the SMILES notation for [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The canonical SMILES for [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine is NCc1cc2c(cc1OCc1ccsc1)OCO2.
What is the InChIKey of [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The InChIKey is RDONUCKACMDWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c14-5-10-3-12-13(17-8-16-12)4-11(10)15-6-9-1-2-18-7-9/h1-4,7H,5-6,8,14H2.
What are the key properties of [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
[6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(thiophen-3-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine is sourced from PubChem (CID 55012009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).