3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C11H17NS — CID 89159795

IUPAC3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1c(C(C)C)sc2c1CCNC2
InChIInChI=1S/C11H17NS/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7,12H,4-6H2,1-3H3
InChIKeyNMHKQZQLSCRHKJ-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.83
Rot. Bonds1

About 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 89159795) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID89159795
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1c(C(C)C)sc2c1CCNC2
InChIInChI=1S/C11H17NS/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7,12H,4-6H2,1-3H3
InChIKeyNMHKQZQLSCRHKJ-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 89159795) is 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Cc1c(C(C)C)sc2c1CCNC2.
What is the InChIKey of 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is NMHKQZQLSCRHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7,12H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 195.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 89159795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).