N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine

C10H15N3O2S2 — CID 135482269

IUPACN-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
SMILESCCC(C)/N=C1\Nc2cc(C)sc2S(=O)(=O)N1
InChIInChI=1S/C10H15N3O2S2/c1-4-6(2)11-10-12-8-5-7(3)16-9(8)17(14,15)13-10/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeySTWAQUXKANJFIH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.91
Rot. Bonds2

About N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine

N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine (PubChem CID 135482269) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
PubChem CID135482269
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC NameN-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
SMILESCCC(C)/N=C1\Nc2cc(C)sc2S(=O)(=O)N1
InChIInChI=1S/C10H15N3O2S2/c1-4-6(2)11-10-12-8-5-7(3)16-9(8)17(14,15)13-10/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeySTWAQUXKANJFIH-UHFFFAOYSA-N
XLogP1.91
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine?
The IUPAC name of N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine (CID 135482269) is N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine.
What is the SMILES notation for N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine?
The canonical SMILES for N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine is CCC(C)/N=C1\Nc2cc(C)sc2S(=O)(=O)N1.
What is the InChIKey of N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine?
The InChIKey is STWAQUXKANJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-4-6(2)11-10-12-8-5-7(3)16-9(8)17(14,15)13-10/h5-6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine?
N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine has a molecular weight of 273.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine is sourced from PubChem (CID 135482269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).