6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone

C14H20N2O2S — CID 122147908

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCOC3)CC(C)N1
InChIInChI=1S/C14H20N2O2S/c1-9-6-16(7-10(2)15-9)14(17)13-5-11-8-18-4-3-12(11)19-13/h5,9-10,15H,3-4,6-8H2,1-2H3
InChIKeyQVQRRBYRVXWRIV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.64
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 122147908) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID122147908
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCOC3)CC(C)N1
InChIInChI=1S/C14H20N2O2S/c1-9-6-16(7-10(2)15-9)14(17)13-5-11-8-18-4-3-12(11)19-13/h5,9-10,15H,3-4,6-8H2,1-2H3
InChIKeyQVQRRBYRVXWRIV-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 120658273
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
CID 82511811
(3aS,7aS)-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627226
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286891
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606658
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 25236977
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
[(3aS,4S,6aR)-4-(6-bromopyridazin-3-yl)oxy-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 171491000
[(3aS,4R,6aR)-4-[[6-chloro-4-(trifluoromethyl)pyridazin-3-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 165394935
[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 138996013
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone (CID 122147908) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc3c(s2)CCOC3)CC(C)N1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is QVQRRBYRVXWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-6-16(7-10(2)15-9)14(17)13-5-11-8-18-4-3-12(11)19-13/h5,9-10,15H,3-4,6-8H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 122147908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).