[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone

C17H25N3O4S — CID 126468483

IUPAC[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2CC(C(=O)N3CCCCC3)N(C)S(=O)(=O)N2)cc1
InChIInChI=1S/C17H25N3O4S/c1-19-16(17(21)20-10-4-3-5-11-20)12-15(18-25(19,22)23)13-6-8-14(24-2)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3
InChIKeyJMWHKRCTWQSGFW-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.29
Rot. Bonds3

About [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone (PubChem CID 126468483) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone
PubChem CID126468483
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2CC(C(=O)N3CCCCC3)N(C)S(=O)(=O)N2)cc1
InChIInChI=1S/C17H25N3O4S/c1-19-16(17(21)20-10-4-3-5-11-20)12-15(18-25(19,22)23)13-6-8-14(24-2)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3
InChIKeyJMWHKRCTWQSGFW-UHFFFAOYSA-N
XLogP1.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5S)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95196534
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R,5S)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670992
[(3R,5S)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 46950437
(3R,5S)-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(1-propylpyrazol-4-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 95849296
1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide
CID 6549822
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 126468587
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone (CID 126468483) is [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone is COc1ccc(C2CC(C(=O)N3CCCCC3)N(C)S(=O)(=O)N2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JMWHKRCTWQSGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-19-16(17(21)20-10-4-3-5-11-20)12-15(18-25(19,22)23)13-6-8-14(24-2)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone has a molecular weight of 367.47 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 126468483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).