N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide

C15H16N4O3S — CID 124522513

IUPACN-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
SMILESO=C(NC1CCC1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C15H16N4O3S/c20-15(18-10-4-3-5-10)14-12-8-17-23(21,22)13-7-2-1-6-11(13)19(12)9-16-14/h1-2,6-7,9-10,17H,3-5,8H2,(H,18,20)
InChIKeyMGKDFBCFFMTWJH-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.95
Rot. Bonds2

About N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide

N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide (PubChem CID 124522513) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
PubChem CID124522513
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
SMILESO=C(NC1CCC1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C15H16N4O3S/c20-15(18-10-4-3-5-10)14-12-8-17-23(21,22)13-7-2-1-6-11(13)19(12)9-16-14/h1-2,6-7,9-10,17H,3-5,8H2,(H,18,20)
InChIKeyMGKDFBCFFMTWJH-UHFFFAOYSA-N
XLogP0.95
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The IUPAC name of N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide (CID 124522513) is N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide is O=C(NC1CCC1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2.
What is the InChIKey of N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The InChIKey is MGKDFBCFFMTWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-15(18-10-4-3-5-10)14-12-8-17-23(21,22)13-7-2-1-6-11(13)19(12)9-16-14/h1-2,6-7,9-10,17H,3-5,8H2,(H,18,20).
What are the key properties of N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide is sourced from PubChem (CID 124522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).