(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C15H24N4O3S — CID 139010291

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-17-8-6-16-14(17)13-5-3-4-7-19(13)15(20)18-9-11-23(21,22)12-10-18/h6,8,13H,2-5,7,9-12H2,1H3
InChIKeyLRMYWJZFPDOTQO-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.28
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 139010291) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID139010291
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-17-8-6-16-14(17)13-5-3-4-7-19(13)15(20)18-9-11-23(21,22)12-10-18/h6,8,13H,2-5,7,9-12H2,1H3
InChIKeyLRMYWJZFPDOTQO-UHFFFAOYSA-N
XLogP1.28
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone 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

1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124742119
2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
CID 154795501
4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 125140588
2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
CID 166184255
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
CID 124890719
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 67953800
(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
CID 124888754
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 124740922
(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124890193
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 139010291) is (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1C1CCCCN1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LRMYWJZFPDOTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-17-8-6-16-14(17)13-5-3-4-7-19(13)15(20)18-9-11-23(21,22)12-10-18/h6,8,13H,2-5,7,9-12H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139010291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).