[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H14ClN3O3S — CID 114922349

IUPAC[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCS(=O)(=O)CC2)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O3S/c1-13-10-6-8(9(12)7-14-10)11(16)15-2-4-19(17,18)5-3-15/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyXKEPIDPYQCAXIV-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.65
Rot. Bonds2

About [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 114922349) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID114922349
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCS(=O)(=O)CC2)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O3S/c1-13-10-6-8(9(12)7-14-10)11(16)15-2-4-19(17,18)5-3-15/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyXKEPIDPYQCAXIV-UHFFFAOYSA-N
XLogP0.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

[5-chloro-2-(methylamino)-4-pyridinyl]-(4-propan-2-ylazepan-1-yl)methanone
CID 114923746
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
CID 114924253
[5-chloro-2-(methylamino)-4-pyridinyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226292
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 114923448
[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 114921920
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
5-chloro-N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 114921836
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 114922349) is [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is CNc1cc(C(=O)N2CCS(=O)(=O)CC2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is XKEPIDPYQCAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c1-13-10-6-8(9(12)7-14-10)11(16)15-2-4-19(17,18)5-3-15/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 303.77 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 114922349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).