(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C18H17NS — CID 129391723

IUPAC(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1ccc2cc(C[C@@H]3NCCc4ccsc43)ccc2c1
InChIInChI=1S/C18H17NS/c1-2-4-16-11-13(5-6-14(16)3-1)12-17-18-15(7-9-19-17)8-10-20-18/h1-6,8,10-11,17,19H,7,9,12H2/t17-/m0/s1
InChIKeyOWIGCRYWWNLINH-KRWDZBQOSA-N
MW279.41 g/mol
LogP4.33
Rot. Bonds2

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

(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 129391723) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID129391723
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1ccc2cc(C[C@@H]3NCCc4ccsc43)ccc2c1
InChIInChI=1S/C18H17NS/c1-2-4-16-11-13(5-6-14(16)3-1)12-17-18-15(7-9-19-17)8-10-20-18/h1-6,8,10-11,17,19H,7,9,12H2/t17-/m0/s1
InChIKeyOWIGCRYWWNLINH-KRWDZBQOSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 129391723) is (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is c1ccc2cc(C[C@@H]3NCCc4ccsc43)ccc2c1.
What is the InChIKey of (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is OWIGCRYWWNLINH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17NS/c1-2-4-16-11-13(5-6-14(16)3-1)12-17-18-15(7-9-19-17)8-10-20-18/h1-6,8,10-11,17,19H,7,9,12H2/t17-/m0/s1.
What are the key properties of (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 279.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 129391723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).