[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C12H17N3O2S — CID 81243142

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySLEWIQPYDQERTO-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.64
Rot. Bonds2

About [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 81243142) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID81243142
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySLEWIQPYDQERTO-UHFFFAOYSA-N
XLogP0.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 81243142) is [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is CNc1cc(C)ncc1C(=O)N1CCS(=O)CC1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SLEWIQPYDQERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 81243142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).