1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine

C11H16N2O2S — CID 82387787

IUPAC1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)OCO2
InChIInChI=1S/C11H16N2O2S/c1-13-3-2-7(12)4-8(13)10-5-9-11(16-10)15-6-14-9/h5,7-8H,2-4,6,12H2,1H3
InChIKeyIBGVRJFHPXLQRT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine

1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine (PubChem CID 82387787) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine
PubChem CID82387787
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)OCO2
InChIInChI=1S/C11H16N2O2S/c1-13-3-2-7(12)4-8(13)10-5-9-11(16-10)15-6-14-9/h5,7-8H,2-4,6,12H2,1H3
InChIKeyIBGVRJFHPXLQRT-UHFFFAOYSA-N
XLogP1.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine?
The IUPAC name of 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine (CID 82387787) is 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine.
What is the SMILES notation for 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine?
The canonical SMILES for 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine is CN1CCC(N)CC1c1cc2c(s1)OCO2.
What is the InChIKey of 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine?
The InChIKey is IBGVRJFHPXLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13-3-2-7(12)4-8(13)10-5-9-11(16-10)15-6-14-9/h5,7-8H,2-4,6,12H2,1H3.
What are the key properties of 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine?
1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine has a molecular weight of 240.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thieno[2,3-d][1,3]dioxol-5-ylpiperidin-4-amine is sourced from PubChem (CID 82387787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).