2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine

C12H18N2S2 — CID 82380893

IUPAC2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)CSC2
InChIInChI=1S/C12H18N2S2/c1-14-3-2-9(13)5-10(14)11-4-8-6-15-7-12(8)16-11/h4,9-10H,2-3,5-7,13H2,1H3
InChIKeyXJZSGHRAODSXQE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.59
Rot. Bonds1

About 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine

2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine (PubChem CID 82380893) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine
PubChem CID82380893
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Name2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)CSC2
InChIInChI=1S/C12H18N2S2/c1-14-3-2-9(13)5-10(14)11-4-8-6-15-7-12(8)16-11/h4,9-10H,2-3,5-7,13H2,1H3
InChIKeyXJZSGHRAODSXQE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine?
The IUPAC name of 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine (CID 82380893) is 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine is CN1CCC(N)CC1c1cc2c(s1)CSC2.
What is the InChIKey of 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine?
The InChIKey is XJZSGHRAODSXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-14-3-2-9(13)5-10(14)11-4-8-6-15-7-12(8)16-11/h4,9-10H,2-3,5-7,13H2,1H3.
What are the key properties of 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine?
2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 82380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).