2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

C11H17N3O2S — CID 114057385

IUPAC2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O2S/c12-4-3-10-2-1-5-13-11(10)14-6-8-17(15,16)9-7-14/h1-2,5H,3-4,6-9,12H2
InChIKeyRLYXYYWXZLOITB-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.18
Rot. Bonds3

About 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (PubChem CID 114057385) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
PubChem CID114057385
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O2S/c12-4-3-10-2-1-5-13-11(10)14-6-8-17(15,16)9-7-14/h1-2,5H,3-4,6-9,12H2
InChIKeyRLYXYYWXZLOITB-UHFFFAOYSA-N
XLogP-0.18
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389165
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
2-[2-(3-ethoxypiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114057439
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43164176
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-4-methyl-3-pyridinyl]methanamine
CID 114083352
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
CID 114055861
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 114065973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (CID 114057385) is 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is NCCc1cccnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is RLYXYYWXZLOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-4-3-10-2-1-5-13-11(10)14-6-8-17(15,16)9-7-14/h1-2,5H,3-4,6-9,12H2.
What are the key properties of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 255.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114057385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).