N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

C14H20N2OS2 — CID 120573958

IUPACN-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1SCCc2sccc21
InChIInChI=1S/C14H20N2OS2/c1-9-11(3-2-6-15-9)16-14(17)13-10-4-7-18-12(10)5-8-19-13/h4,7,9,11,13,15H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeyUDTGOAFPMYHHOH-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.34
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 120573958) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID120573958
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC NameN-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1SCCc2sccc21
InChIInChI=1S/C14H20N2OS2/c1-9-11(3-2-6-15-9)16-14(17)13-10-4-7-18-12(10)5-8-19-13/h4,7,9,11,13,15H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeyUDTGOAFPMYHHOH-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 114695087
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620372
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114695004
N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 111485874
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-methyl-N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylpropanamide;hydrochloride
CID 120576386
N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 120653389
4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)butanoic acid
CID 119171053
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
CID 120576328

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 120573958) is N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is CC1NCCCC1NC(=O)C1SCCc2sccc21.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is UDTGOAFPMYHHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-9-11(3-2-6-15-9)16-14(17)13-10-4-7-18-12(10)5-8-19-13/h4,7,9,11,13,15H,2-3,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 120573958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).