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

C8H10N2OS — CID 54334650

IUPAC(2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESC[C@@H]1CN=C(N)c2sccc2O1
InChIInChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m1/s1
InChIKeyTUOXPJFCQDMQOX-RXMQYKEDSA-N
MW182.25 g/mol
LogP1.23
Rot. Bonds

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

(2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 54334650) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name(2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID54334650
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESC[C@@H]1CN=C(N)c2sccc2O1
InChIInChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m1/s1
InChIKeyTUOXPJFCQDMQOX-RXMQYKEDSA-N
XLogP1.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 54334650) is (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is C[C@@H]1CN=C(N)c2sccc2O1.
What is the InChIKey of (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is TUOXPJFCQDMQOX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
(2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 182.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 54334650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).