5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H23NOS — CID 170676430

IUPAC5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)OCC1(CN2CCc3sccc3C2)CC1
InChIInChI=1S/C15H23NOS/c1-12(2)17-11-15(5-6-15)10-16-7-3-14-13(9-16)4-8-18-14/h4,8,12H,3,5-7,9-11H2,1-2H3
InChIKeyGRJJWUNJCDVKSV-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.31
Rot. Bonds5

About 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 170676430) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID170676430
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)OCC1(CN2CCc3sccc3C2)CC1
InChIInChI=1S/C15H23NOS/c1-12(2)17-11-15(5-6-15)10-16-7-3-14-13(9-16)4-8-18-14/h4,8,12H,3,5-7,9-11H2,1-2H3
InChIKeyGRJJWUNJCDVKSV-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 170676430) is 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)OCC1(CN2CCc3sccc3C2)CC1.
What is the InChIKey of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is GRJJWUNJCDVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(2)17-11-15(5-6-15)10-16-7-3-14-13(9-16)4-8-18-14/h4,8,12H,3,5-7,9-11H2,1-2H3.
What are the key properties of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 265.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 170676430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).