oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate

C14H19NO3S — CID 62384376

IUPACoxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
SMILESO=C(OCC1CCOCC1)C1NCCc2sccc21
InChIInChI=1S/C14H19NO3S/c16-14(18-9-10-2-6-17-7-3-10)13-11-4-8-19-12(11)1-5-15-13/h4,8,10,13,15H,1-3,5-7,9H2
InChIKeyAXCNECZARROBSS-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds3

About oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate

oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate (PubChem CID 62384376) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
PubChem CID62384376
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Nameoxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
SMILESO=C(OCC1CCOCC1)C1NCCc2sccc21
InChIInChI=1S/C14H19NO3S/c16-14(18-9-10-2-6-17-7-3-10)13-11-4-8-19-12(11)1-5-15-13/h4,8,10,13,15H,1-3,5-7,9H2
InChIKeyAXCNECZARROBSS-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate?
The IUPAC name of oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate (CID 62384376) is oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate?
The canonical SMILES for oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate is O=C(OCC1CCOCC1)C1NCCc2sccc21.
What is the InChIKey of oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate?
The InChIKey is AXCNECZARROBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14(18-9-10-2-6-17-7-3-10)13-11-4-8-19-12(11)1-5-15-13/h4,8,10,13,15H,1-3,5-7,9H2.
What are the key properties of oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate?
oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 62384376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).