3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide

C16H21N3O3S — CID 71999840

IUPAC3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H21N3O3S/c1-13-12-23(20,21)11-10-19(13)9-5-8-15-17-16(18-22-15)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKeyZYXRHGSFHJRVHD-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.79
Rot. Bonds5

About 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide

3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 71999840) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide
PubChem CID71999840
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H21N3O3S/c1-13-12-23(20,21)11-10-19(13)9-5-8-15-17-16(18-22-15)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKeyZYXRHGSFHJRVHD-UHFFFAOYSA-N
XLogP1.79
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide (CID 71999840) is 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZYXRHGSFHJRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-12-23(20,21)11-10-19(13)9-5-8-15-17-16(18-22-15)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3.
What are the key properties of 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide?
3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 335.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71999840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).