7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C12H17NS — CID 165470491

IUPAC7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1cc2c(s1)C(CCC1CC1)NCC2
InChIInChI=1S/C12H17NS/c1-2-9(1)3-4-11-12-10(5-7-13-11)6-8-14-12/h6,8-9,11,13H,1-5,7H2
InChIKeyHZCATHAUFIIKMU-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.13
Rot. Bonds3

About 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 165470491) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID165470491
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1cc2c(s1)C(CCC1CC1)NCC2
InChIInChI=1S/C12H17NS/c1-2-9(1)3-4-11-12-10(5-7-13-11)6-8-14-12/h6,8-9,11,13H,1-5,7H2
InChIKeyHZCATHAUFIIKMU-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 165470491) is 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is c1cc2c(s1)C(CCC1CC1)NCC2.
What is the InChIKey of 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is HZCATHAUFIIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-9(1)3-4-11-12-10(5-7-13-11)6-8-14-12/h6,8-9,11,13H,1-5,7H2.
What are the key properties of 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 207.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 165470491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).