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

C9H13N3O2S2 — CID 71858346

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C9H13N3O2S2/c13-16(14)5-3-12(4-6-16)9-10-8(11-15-9)7-1-2-7/h7H,1-6H2
InChIKeyLLIAXWMOENOSHO-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.65
Rot. Bonds2

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71858346) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71858346
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C9H13N3O2S2/c13-16(14)5-3-12(4-6-16)9-10-8(11-15-9)7-1-2-7/h7H,1-6H2
InChIKeyLLIAXWMOENOSHO-UHFFFAOYSA-N
XLogP0.65
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 71858346) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LLIAXWMOENOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c13-16(14)5-3-12(4-6-16)9-10-8(11-15-9)7-1-2-7/h7H,1-6H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 259.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71858346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).