4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine

C14H20N2O3S — CID 44573223

IUPAC4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-7-9-19-10-8-16)14-2-1-12-3-5-15-6-4-13(12)11-14/h1-2,11,15H,3-10H2
InChIKeyJBRSFEIYDIXRQO-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.40
Rot. Bonds2

About 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine

4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine (PubChem CID 44573223) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine
PubChem CID44573223
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-7-9-19-10-8-16)14-2-1-12-3-5-15-6-4-13(12)11-14/h1-2,11,15H,3-10H2
InChIKeyJBRSFEIYDIXRQO-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine?
The IUPAC name of 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine (CID 44573223) is 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine?
The canonical SMILES for 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine is O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCOCC1.
What is the InChIKey of 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine?
The InChIKey is JBRSFEIYDIXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-20(18,16-7-9-19-10-8-16)14-2-1-12-3-5-15-6-4-13(12)11-14/h1-2,11,15H,3-10H2.
What are the key properties of 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine?
4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine has a molecular weight of 296.39 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)morpholine is sourced from PubChem (CID 44573223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).