5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde

C12H16N2O3S — CID 102884286

IUPAC5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H16N2O3S/c1-9-5-11(7-15)6-13-12(9)14-3-4-18(16,17)8-10(14)2/h5-7,10H,3-4,8H2,1-2H3
InChIKeyPSVCYXWJCHEHBT-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.83
Rot. Bonds2

About 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde

5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde (PubChem CID 102884286) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
PubChem CID102884286
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H16N2O3S/c1-9-5-11(7-15)6-13-12(9)14-3-4-18(16,17)8-10(14)2/h5-7,10H,3-4,8H2,1-2H3
InChIKeyPSVCYXWJCHEHBT-UHFFFAOYSA-N
XLogP0.83
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102884802
2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102887231
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285
4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103583476
(E)-3-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]prop-2-enoic acid
CID 102884957
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
CID 102884804
5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde
CID 80638315
4-(5-bromo-3-nitro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885954
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 83220002
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde (CID 102884286) is 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The InChIKey is PSVCYXWJCHEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-5-11(7-15)6-13-12(9)14-3-4-18(16,17)8-10(14)2/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde has a molecular weight of 268.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 102884286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).