3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine

C11H15N3O2S2 — CID 152554293

IUPAC3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1C)N(N)C(C1CCC1)=NS2(=O)=O
InChIInChI=1S/C11H15N3O2S2/c1-6-7(2)17-11-9(6)14(12)10(8-4-3-5-8)13-18(11,15)16/h8H,3-5,12H2,1-2H3
InChIKeyYODKCXLXOGVTLB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.95
Rot. Bonds1

About 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine

3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (PubChem CID 152554293) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.

Molecular Properties

Compound Name3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
PubChem CID152554293
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1C)N(N)C(C1CCC1)=NS2(=O)=O
InChIInChI=1S/C11H15N3O2S2/c1-6-7(2)17-11-9(6)14(12)10(8-4-3-5-8)13-18(11,15)16/h8H,3-5,12H2,1-2H3
InChIKeyYODKCXLXOGVTLB-UHFFFAOYSA-N
XLogP1.95
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The IUPAC name of 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (CID 152554293) is 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.
What is the SMILES notation for 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The canonical SMILES for 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is Cc1sc2c(c1C)N(N)C(C1CCC1)=NS2(=O)=O.
What is the InChIKey of 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The InChIKey is YODKCXLXOGVTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-6-7(2)17-11-9(6)14(12)10(8-4-3-5-8)13-18(11,15)16/h8H,3-5,12H2,1-2H3.
What are the key properties of 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is sourced from PubChem (CID 152554293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).