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

C11H14N2O3S — CID 102884285

IUPAC6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
SMILESCC1CS(=O)(=O)CCN1c1ccc(C=O)cn1
InChIInChI=1S/C11H14N2O3S/c1-9-8-17(15,16)5-4-13(9)11-3-2-10(7-14)6-12-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyBPUXQLKMOWOJNK-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.52
Rot. Bonds2

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

6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde (PubChem CID 102884285) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
PubChem CID102884285
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
SMILESCC1CS(=O)(=O)CCN1c1ccc(C=O)cn1
InChIInChI=1S/C11H14N2O3S/c1-9-8-17(15,16)5-4-13(9)11-3-2-10(7-14)6-12-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyBPUXQLKMOWOJNK-UHFFFAOYSA-N
XLogP0.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde with MolForge

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Related Compounds

N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 102884906
(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102883966
5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884286
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883784
(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
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80631815
5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
CID 114090699
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 102886676
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952
N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde (CID 102884285) is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde is CC1CS(=O)(=O)CCN1c1ccc(C=O)cn1.
What is the InChIKey of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
The InChIKey is BPUXQLKMOWOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-9-8-17(15,16)5-4-13(9)11-3-2-10(7-14)6-12-11/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde?
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde has a molecular weight of 254.31 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 102884285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).