N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide

C17H20N2O2S2 — CID 146088238

IUPACN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NC(C)C1OCCc2sccc21
InChIInChI=1S/C17H20N2O2S2/c1-11(16-13-6-9-23-14(13)5-8-21-16)19-17(20)15-12(10-22-2)4-3-7-18-15/h3-4,6-7,9,11,16H,5,8,10H2,1-2H3,(H,19,20)
InChIKeyIDIKNXFRYNMZMF-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide

N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide (PubChem CID 146088238) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
PubChem CID146088238
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NC(C)C1OCCc2sccc21
InChIInChI=1S/C17H20N2O2S2/c1-11(16-13-6-9-23-14(13)5-8-21-16)19-17(20)15-12(10-22-2)4-3-7-18-15/h3-4,6-7,9,11,16H,5,8,10H2,1-2H3,(H,19,20)
InChIKeyIDIKNXFRYNMZMF-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide (CID 146088238) is N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide is CSCc1cccnc1C(=O)NC(C)C1OCCc2sccc21.
What is the InChIKey of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The InChIKey is IDIKNXFRYNMZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-11(16-13-6-9-23-14(13)5-8-21-16)19-17(20)15-12(10-22-2)4-3-7-18-15/h3-4,6-7,9,11,16H,5,8,10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).