[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone

C22H30N4O4S — CID 110220104

IUPAC[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)o1
InChIInChI=1S/C22H30N4O4S/c1-3-25(4-2)15-17-9-10-19(30-17)22(27)26-13-11-16(12-14-26)21-23-18-7-5-6-8-20(18)31(28,29)24-21/h5-10,16,21,23-24H,3-4,11-15H2,1-2H3
InChIKeyQVYLFQRBFONDIZ-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.70
Rot. Bonds6

About [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone

[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone (PubChem CID 110220104) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
PubChem CID110220104
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)o1
InChIInChI=1S/C22H30N4O4S/c1-3-25(4-2)15-17-9-10-19(30-17)22(27)26-13-11-16(12-14-26)21-23-18-7-5-6-8-20(18)31(28,29)24-21/h5-10,16,21,23-24H,3-4,11-15H2,1-2H3
InChIKeyQVYLFQRBFONDIZ-UHFFFAOYSA-N
XLogP2.70
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220092
(5-cyclopropyl-2-methylfuran-3-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220112
1-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-3-(4-ethylpiperazin-1-yl)propan-1-one
CID 95800226
[5-(diethylaminomethyl)furan-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680421
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220087
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110220064
(2R)-1-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 95800212
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 110220177
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 110220124
3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727088

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone (CID 110220104) is [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is QVYLFQRBFONDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-3-25(4-2)15-17-9-10-19(30-17)22(27)26-13-11-16(12-14-26)21-23-18-7-5-6-8-20(18)31(28,29)24-21/h5-10,16,21,23-24H,3-4,11-15H2,1-2H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone?
[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 446.57 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110220104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).