(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C19H25N3O4S — CID 6625626

IUPAC(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H25N3O4S/c1-4-15-7-5-6-12-22(15)19(23)18-13-17(20-27(24,25)21(18)2)14-8-10-16(26-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyOKLHGIYWVLJLKF-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.35
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 6625626) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID6625626
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H25N3O4S/c1-4-15-7-5-6-12-22(15)19(23)18-13-17(20-27(24,25)21(18)2)14-8-10-16(26-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyOKLHGIYWVLJLKF-UHFFFAOYSA-N
XLogP2.35
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625740
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
CID 17253786
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253511
1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078947
[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 7626947
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 6625626) is (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCC1CCCCN1C(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is OKLHGIYWVLJLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-15-7-5-6-12-22(15)19(23)18-13-17(20-27(24,25)21(18)2)14-8-10-16(26-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 391.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 6625626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).