2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

C8H11N3OS — CID 54245280

IUPAC2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNCC1CN=C(N)c2sccc2O1
InChIInChI=1S/C8H11N3OS/c9-3-5-4-11-8(10)7-6(12-5)1-2-13-7/h1-2,5H,3-4,9H2,(H2,10,11)
InChIKeyQSVROANNTHKRGB-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.17
Rot. Bonds1

About 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 54245280) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID54245280
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNCC1CN=C(N)c2sccc2O1
InChIInChI=1S/C8H11N3OS/c9-3-5-4-11-8(10)7-6(12-5)1-2-13-7/h1-2,5H,3-4,9H2,(H2,10,11)
InChIKeyQSVROANNTHKRGB-UHFFFAOYSA-N
XLogP0.17
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 54245280) is 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is NCC1CN=C(N)c2sccc2O1.
What is the InChIKey of 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is QSVROANNTHKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-3-5-4-11-8(10)7-6(12-5)1-2-13-7/h1-2,5H,3-4,9H2,(H2,10,11).
What are the key properties of 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 197.26 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 54245280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).