(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine

C11H16N2S — CID 130835239

IUPAC(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\c1csc(C)c1)N1CCCCC1
InChIInChI=1S/C11H16N2S/c1-9-7-10(8-14-9)11(12)13-5-3-2-4-6-13/h7-8,12H,2-6H2,1H3/b12-11+
InChIKeyUFAHFADNGIIZPB-VAWYXSNFSA-N
MW208.33 g/mol
LogP2.87
Rot. Bonds1

About (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine

(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine (PubChem CID 130835239) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
PubChem CID130835239
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\c1csc(C)c1)N1CCCCC1
InChIInChI=1S/C11H16N2S/c1-9-7-10(8-14-9)11(12)13-5-3-2-4-6-13/h7-8,12H,2-6H2,1H3/b12-11+
InChIKeyUFAHFADNGIIZPB-VAWYXSNFSA-N
XLogP2.87
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine?
The IUPAC name of (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine (CID 130835239) is (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine?
The canonical SMILES for (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine is [H]/N=C(\c1csc(C)c1)N1CCCCC1.
What is the InChIKey of (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine?
The InChIKey is UFAHFADNGIIZPB-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-7-10(8-14-9)11(12)13-5-3-2-4-6-13/h7-8,12H,2-6H2,1H3/b12-11+.
What are the key properties of (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine?
(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine has a molecular weight of 208.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 130835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).