(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C17H20N4O5S3 — CID 25483040

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)s1
InChIInChI=1S/C17H20N4O5S3/c1-13-4-5-15(27-13)29(25,26)21-9-7-20(8-10-21)17(22)14-3-2-6-19-11-12-28(23,24)18-16(14)19/h2-6H,7-12H2,1H3
InChIKeyPRAQAFAPYDJWPD-UHFFFAOYSA-N
MW456.57 g/mol
LogP0.39
Rot. Bonds3

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 25483040) has the molecular formula C17H20N4O5S3 and a molecular weight of 456.57 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID25483040
Molecular FormulaC17H20N4O5S3
Molecular Weight456.57 g/mol
Exact Mass456.06
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)s1
InChIInChI=1S/C17H20N4O5S3/c1-13-4-5-15(27-13)29(25,26)21-9-7-20(8-10-21)17(22)14-3-2-6-19-11-12-28(23,24)18-16(14)19/h2-6H,7-12H2,1H3
InChIKeyPRAQAFAPYDJWPD-UHFFFAOYSA-N
XLogP0.39
TPSA107.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55384101
1,4-diazepan-1-yl-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 119414823
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777075
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24682732
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33180759

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 25483040) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)s1.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PRAQAFAPYDJWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S3/c1-13-4-5-15(27-13)29(25,26)21-9-7-20(8-10-21)17(22)14-3-2-6-19-11-12-28(23,24)18-16(14)19/h2-6H,7-12H2,1H3.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 456.57 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 25483040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).