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

C14H21NOS — CID 174182110

IUPAC5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCOCC1(CN2CCc3sccc3C2)CC1
InChIInChI=1S/C14H21NOS/c1-2-16-11-14(5-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyHDADXFYYJTWGGS-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.92
Rot. Bonds5

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

5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 174182110) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID174182110
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCOCC1(CN2CCc3sccc3C2)CC1
InChIInChI=1S/C14H21NOS/c1-2-16-11-14(5-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyHDADXFYYJTWGGS-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 174182110) is 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCOCC1(CN2CCc3sccc3C2)CC1.
What is the InChIKey of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is HDADXFYYJTWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-16-11-14(5-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8H,2-3,5-7,9-11H2,1H3.
What are the key properties of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 251.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 174182110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).