(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H13ClN2O2S — CID 81226375

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCS(=O)CC2)cn1
InChIInChI=1S/C11H13ClN2O2S/c1-8-6-10(12)9(7-13-8)11(15)14-2-4-17(16)5-3-14/h6-7H,2-5H2,1H3
InChIKeyCROCOJUZZHCCAS-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.25
Rot. Bonds1

About (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 81226375) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID81226375
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCS(=O)CC2)cn1
InChIInChI=1S/C11H13ClN2O2S/c1-8-6-10(12)9(7-13-8)11(15)14-2-4-17(16)5-3-14/h6-7H,2-5H2,1H3
InChIKeyCROCOJUZZHCCAS-UHFFFAOYSA-N
XLogP1.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81227303
(4-chloro-6-methyl-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103863071
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 100628534
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
(4-chloro-6-methyl-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81226550
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 81226375) is (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is Cc1cc(Cl)c(C(=O)N2CCS(=O)CC2)cn1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is CROCOJUZZHCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-8-6-10(12)9(7-13-8)11(15)14-2-4-17(16)5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 272.76 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 81226375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).