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

C9H15N3O2S2 — CID 64545360

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N3O2S2/c1-7(10)8-6-15-9(11-8)12-2-4-16(13,14)5-3-12/h6-7H,2-5,10H2,1H3
InChIKeyYSCWIJLKZXLLLR-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.40
Rot. Bonds2

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

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64545360) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64545360
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N3O2S2/c1-7(10)8-6-15-9(11-8)12-2-4-16(13,14)5-3-12/h6-7H,2-5,10H2,1H3
InChIKeyYSCWIJLKZXLLLR-UHFFFAOYSA-N
XLogP0.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 64545360) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is YSCWIJLKZXLLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-7(10)8-6-15-9(11-8)12-2-4-16(13,14)5-3-12/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64545360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).