N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

C13H21N3O2S — CID 102884802

IUPACN-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCS(=O)(=O)CC2C)c(C)c1
InChIInChI=1S/C13H21N3O2S/c1-10-6-12(7-14-3)8-15-13(10)16-4-5-19(17,18)9-11(16)2/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyYQVHMLQQSWGQKZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (PubChem CID 102884802) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
PubChem CID102884802
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCS(=O)(=O)CC2C)c(C)c1
InChIInChI=1S/C13H21N3O2S/c1-10-6-12(7-14-3)8-15-13(10)16-4-5-19(17,18)9-11(16)2/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyYQVHMLQQSWGQKZ-UHFFFAOYSA-N
XLogP0.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (CID 102884802) is N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is CNCc1cnc(N2CCS(=O)(=O)CC2C)c(C)c1.
What is the InChIKey of N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is YQVHMLQQSWGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-6-12(7-14-3)8-15-13(10)16-4-5-19(17,18)9-11(16)2/h6,8,11,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102884802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).