7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one

C11H16N2O2S — CID 20590309

IUPAC7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2cccs2)CCOC1C
InChIInChI=1S/C11H16N2O2S/c1-8-10(12-2)11(14)13(5-6-15-8)9-4-3-7-16-9/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyVNCFJPGRBMQWPO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.09
Rot. Bonds2

About 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one

7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one (PubChem CID 20590309) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
PubChem CID20590309
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2cccs2)CCOC1C
InChIInChI=1S/C11H16N2O2S/c1-8-10(12-2)11(14)13(5-6-15-8)9-4-3-7-16-9/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyVNCFJPGRBMQWPO-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one?
The IUPAC name of 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one (CID 20590309) is 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one.
What is the SMILES notation for 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one?
The canonical SMILES for 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one is CNC1C(=O)N(c2cccs2)CCOC1C.
What is the InChIKey of 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one?
The InChIKey is VNCFJPGRBMQWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-10(12-2)11(14)13(5-6-15-8)9-4-3-7-16-9/h3-4,7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one?
7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one has a molecular weight of 240.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one is sourced from PubChem (CID 20590309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).