2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C11H19N3O2S2 — CID 80522146

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2CS(=O)(=O)CCN2)s1
InChIInChI=1S/C11H19N3O2S2/c1-9-14-7-11(17-9)6-12-3-2-10-8-18(15,16)5-4-13-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyPYLDLDSDIRMVFH-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.32
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 80522146) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID80522146
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2CS(=O)(=O)CCN2)s1
InChIInChI=1S/C11H19N3O2S2/c1-9-14-7-11(17-9)6-12-3-2-10-8-18(15,16)5-4-13-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyPYLDLDSDIRMVFH-UHFFFAOYSA-N
XLogP0.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 80522146) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNCCC2CS(=O)(=O)CCN2)s1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is PYLDLDSDIRMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-14-7-11(17-9)6-12-3-2-10-8-18(15,16)5-4-13-10/h7,10,12-13H,2-6,8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 289.43 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 80522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).