5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine

C12H18N2S2 — CID 82380886

IUPAC5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine
SMILESCN1CC(N)CC(c2csc3c2CSC3)C1
InChIInChI=1S/C12H18N2S2/c1-14-3-8(2-9(13)4-14)10-6-16-12-7-15-5-11(10)12/h6,8-9H,2-5,7,13H2,1H3
InChIKeyGDEHWEKYXHYHLD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.24
Rot. Bonds1

About 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine

5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine (PubChem CID 82380886) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine
PubChem CID82380886
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Name5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine
SMILESCN1CC(N)CC(c2csc3c2CSC3)C1
InChIInChI=1S/C12H18N2S2/c1-14-3-8(2-9(13)4-14)10-6-16-12-7-15-5-11(10)12/h6,8-9H,2-5,7,13H2,1H3
InChIKeyGDEHWEKYXHYHLD-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine?
The IUPAC name of 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine (CID 82380886) is 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine is CN1CC(N)CC(c2csc3c2CSC3)C1.
What is the InChIKey of 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine?
The InChIKey is GDEHWEKYXHYHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-14-3-8(2-9(13)4-14)10-6-16-12-7-15-5-11(10)12/h6,8-9H,2-5,7,13H2,1H3.
What are the key properties of 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine?
5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dihydrothieno[3,4-b]thiophen-3-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 82380886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).