(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H18N2O2S — CID 144802030

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1=CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H18N2O2S/c1-10-2-4-12(5-3-10)11(14)13-6-8-16(15)9-7-13/h2H,3-9H2,1H3
InChIKeyQWOXKKMGHPFIFH-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.82
Rot. Bonds

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 144802030) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID144802030
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1=CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H18N2O2S/c1-10-2-4-12(5-3-10)11(14)13-6-8-16(15)9-7-13/h2H,3-9H2,1H3
InChIKeyQWOXKKMGHPFIFH-UHFFFAOYSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 144802030) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CC1=CCN(C(=O)N2CCS(=O)CC2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is QWOXKKMGHPFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10-2-4-12(5-3-10)11(14)13-6-8-16(15)9-7-13/h2H,3-9H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 242.34 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 144802030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).