5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

C13H17N3O2S — CID 123309462

IUPAC5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESCC1CCC(Oc2cccc3c2C(N)=NS(=O)N3)C1
InChIInChI=1S/C13H17N3O2S/c1-8-5-6-9(7-8)18-11-4-2-3-10-12(11)13(14)16-19(17)15-10/h2-4,8-9,15H,5-7H2,1H3,(H2,14,16)
InChIKeyJANVSTSGTVDQMO-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.96
Rot. Bonds2

About 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (PubChem CID 123309462) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
PubChem CID123309462
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESCC1CCC(Oc2cccc3c2C(N)=NS(=O)N3)C1
InChIInChI=1S/C13H17N3O2S/c1-8-5-6-9(7-8)18-11-4-2-3-10-12(11)13(14)16-19(17)15-10/h2-4,8-9,15H,5-7H2,1H3,(H2,14,16)
InChIKeyJANVSTSGTVDQMO-UHFFFAOYSA-N
XLogP1.96
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The IUPAC name of 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (CID 123309462) is 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is CC1CCC(Oc2cccc3c2C(N)=NS(=O)N3)C1.
What is the InChIKey of 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The InChIKey is JANVSTSGTVDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-6-9(7-8)18-11-4-2-3-10-12(11)13(14)16-19(17)15-10/h2-4,8-9,15H,5-7H2,1H3,(H2,14,16).
What are the key properties of 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine has a molecular weight of 279.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclopentyl)oxy-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 123309462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).