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

C10H14N2OS — CID 24941263

IUPAC(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCC[C@H]1COc2ccsc2C(N)=N1
InChIInChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyJIIBOYBTIWHZFJ-ZETCQYMHSA-N
MW210.30 g/mol
LogP2.01
Rot. Bonds2

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

(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 24941263) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID24941263
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESCCC[C@H]1COc2ccsc2C(N)=N1
InChIInChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyJIIBOYBTIWHZFJ-ZETCQYMHSA-N
XLogP2.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 24941263) is (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is CCC[C@H]1COc2ccsc2C(N)=N1.
What is the InChIKey of (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is JIIBOYBTIWHZFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 210.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 24941263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).