4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one

C11H18N2O2S — CID 58849882

IUPAC4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one
SMILESCNC1CCC2CSCC(C(C)=O)N2C1=O
InChIInChI=1S/C11H18N2O2S/c1-7(14)10-6-16-5-8-3-4-9(12-2)11(15)13(8)10/h8-10,12H,3-6H2,1-2H3
InChIKeyKDXQJZISTHERCK-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.27
Rot. Bonds2

About 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one

4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one (PubChem CID 58849882) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one.

Molecular Properties

Compound Name4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one
PubChem CID58849882
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one
SMILESCNC1CCC2CSCC(C(C)=O)N2C1=O
InChIInChI=1S/C11H18N2O2S/c1-7(14)10-6-16-5-8-3-4-9(12-2)11(15)13(8)10/h8-10,12H,3-6H2,1-2H3
InChIKeyKDXQJZISTHERCK-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one?
The IUPAC name of 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one (CID 58849882) is 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one.
What is the SMILES notation for 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one?
The canonical SMILES for 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one is CNC1CCC2CSCC(C(C)=O)N2C1=O.
What is the InChIKey of 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one?
The InChIKey is KDXQJZISTHERCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(14)10-6-16-5-8-3-4-9(12-2)11(15)13(8)10/h8-10,12H,3-6H2,1-2H3.
What are the key properties of 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one?
4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one has a molecular weight of 242.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one is sourced from PubChem (CID 58849882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).