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

C12H17N3O2S2 — CID 151156883

IUPAC3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1C)N(N)C(C1CCCC1)=NS2(=O)=O
InChIInChI=1S/C12H17N3O2S2/c1-7-8(2)18-12-10(7)15(13)11(14-19(12,16)17)9-5-3-4-6-9/h9H,3-6,13H2,1-2H3
InChIKeyMZKSFTMTRJPWAT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.34
Rot. Bonds1

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

3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (PubChem CID 151156883) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.

Molecular Properties

Compound Name3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
PubChem CID151156883
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1C)N(N)C(C1CCCC1)=NS2(=O)=O
InChIInChI=1S/C12H17N3O2S2/c1-7-8(2)18-12-10(7)15(13)11(14-19(12,16)17)9-5-3-4-6-9/h9H,3-6,13H2,1-2H3
InChIKeyMZKSFTMTRJPWAT-UHFFFAOYSA-N
XLogP2.34
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.34
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-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The IUPAC name of 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (CID 151156883) is 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.
What is the SMILES notation for 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The canonical SMILES for 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is Cc1sc2c(c1C)N(N)C(C1CCCC1)=NS2(=O)=O.
What is the InChIKey of 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The InChIKey is MZKSFTMTRJPWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-7-8(2)18-12-10(7)15(13)11(14-19(12,16)17)9-5-3-4-6-9/h9H,3-6,13H2,1-2H3.
What are the key properties of 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine has a molecular weight of 299.42 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is sourced from PubChem (CID 151156883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).