[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine

C12H19N3O2S — CID 81051404

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CCS(=O)(=O)CC2)c(CN)c(C)n1
InChIInChI=1S/C12H19N3O2S/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-18(16,17)6-4-15/h7H,3-6,8,13H2,1-2H3
InChIKeyUWDFXNLYCHYOHF-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.39
Rot. Bonds2

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine

[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81051404) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81051404
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CCS(=O)(=O)CC2)c(CN)c(C)n1
InChIInChI=1S/C12H19N3O2S/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-18(16,17)6-4-15/h7H,3-6,8,13H2,1-2H3
InChIKeyUWDFXNLYCHYOHF-UHFFFAOYSA-N
XLogP0.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine (CID 81051404) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(N2CCS(=O)(=O)CC2)c(CN)c(C)n1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is UWDFXNLYCHYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-18(16,17)6-4-15/h7H,3-6,8,13H2,1-2H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81051404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).