methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate

C15H17NO2S2 — CID 10828567

IUPACmethyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(SC3CCCCC3)cncc2s1
InChIInChI=1S/C15H17NO2S2/c1-18-15(17)12-7-11-13(8-16-9-14(11)20-12)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyCYBCJLSUMFNFIE-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.51
Rot. Bonds3

About methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate

methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate (PubChem CID 10828567) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate
PubChem CID10828567
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Namemethyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(SC3CCCCC3)cncc2s1
InChIInChI=1S/C15H17NO2S2/c1-18-15(17)12-7-11-13(8-16-9-14(11)20-12)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyCYBCJLSUMFNFIE-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate (CID 10828567) is methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(SC3CCCCC3)cncc2s1.
What is the InChIKey of methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is CYBCJLSUMFNFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-18-15(17)12-7-11-13(8-16-9-14(11)20-12)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate?
methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexylsulfanylthieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 10828567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).