2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide

C13H23N3O2S2 — CID 133479707

IUPAC2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(CCOC)ns2)CCS1=O
InChIInChI=1S/C13H23N3O2S2/c1-4-13(5-2)10-16(7-9-20(13)17)12-14-11(15-19-12)6-8-18-3/h4-10H2,1-3H3
InChIKeyXWMYJVJACVZPGM-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.85
Rot. Bonds6

About 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide

2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide (PubChem CID 133479707) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
PubChem CID133479707
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(CCOC)ns2)CCS1=O
InChIInChI=1S/C13H23N3O2S2/c1-4-13(5-2)10-16(7-9-20(13)17)12-14-11(15-19-12)6-8-18-3/h4-10H2,1-3H3
InChIKeyXWMYJVJACVZPGM-UHFFFAOYSA-N
XLogP1.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide (CID 133479707) is 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2nc(CCOC)ns2)CCS1=O.
What is the InChIKey of 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide?
The InChIKey is XWMYJVJACVZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-13(5-2)10-16(7-9-20(13)17)12-14-11(15-19-12)6-8-18-3/h4-10H2,1-3H3.
What are the key properties of 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide?
2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide has a molecular weight of 317.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).