N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C15H23NO3S — CID 111115819

IUPACN-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C15H23NO3S/c1-3-10(4-2)12(17)8-16-15(18)14-7-11-9-19-6-5-13(11)20-14/h7,10,12,17H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyXEMCWEIHISVMDT-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.35
Rot. Bonds6

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

N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 111115819) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID111115819
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C15H23NO3S/c1-3-10(4-2)12(17)8-16-15(18)14-7-11-9-19-6-5-13(11)20-14/h7,10,12,17H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyXEMCWEIHISVMDT-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-(2-ethylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 113232032
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111478893
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 127500320

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 111115819) is N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is CCC(CC)C(O)CNC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is XEMCWEIHISVMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-10(4-2)12(17)8-16-15(18)14-7-11-9-19-6-5-13(11)20-14/h7,10,12,17H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 111115819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).