4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C10H17N3O2S2 — CID 71971599

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C10H17N3O2S2/c1-4-8-11-9(16-12-8)13-5-6-17(14,15)10(2,3)7-13/h4-7H2,1-3H3
InChIKeyFGQGXUYOFMXIFW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.11
Rot. Bonds2

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 71971599) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID71971599
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C10H17N3O2S2/c1-4-8-11-9(16-12-8)13-5-6-17(14,15)10(2,3)7-13/h4-7H2,1-3H3
InChIKeyFGQGXUYOFMXIFW-UHFFFAOYSA-N
XLogP1.11
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858346
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858349
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 71866341
2,2-Dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71854939
4-(3-Ethyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71925334
N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
CID 71976614
3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 97085817
N,N-dimethyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2,4-thiadiazol-5-amine
CID 97810376
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
2,2-Diethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
CID 136542350
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
CID 146127078

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 71971599) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is CCc1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FGQGXUYOFMXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-4-8-11-9(16-12-8)13-5-6-17(14,15)10(2,3)7-13/h4-7H2,1-3H3.
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71971599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).