2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

C11H16N2OS — CID 54286093

IUPAC2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCCCC1CN=C(N)c2sccc2O1
InChIInChI=1S/C11H16N2OS/c1-2-3-4-8-7-13-11(12)10-9(14-8)5-6-15-10/h5-6,8H,2-4,7H2,1H3,(H2,12,13)
InChIKeyRUFBGXKDNRRLTC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.40
Rot. Bonds3

About 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 54286093) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID54286093
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCCCC1CN=C(N)c2sccc2O1
InChIInChI=1S/C11H16N2OS/c1-2-3-4-8-7-13-11(12)10-9(14-8)5-6-15-10/h5-6,8H,2-4,7H2,1H3,(H2,12,13)
InChIKeyRUFBGXKDNRRLTC-UHFFFAOYSA-N
XLogP2.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 54286093) is 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is CCCCC1CN=C(N)c2sccc2O1.
What is the InChIKey of 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is RUFBGXKDNRRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-3-4-8-7-13-11(12)10-9(14-8)5-6-15-10/h5-6,8H,2-4,7H2,1H3,(H2,12,13).
What are the key properties of 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 224.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 54286093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).