azepan-1-yl(1-benzothiophen-3-yl)methanone

C15H17NOS — CID 1245639

IUPACazepan-1-yl(1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCCCCC1
InChIInChI=1S/C15H17NOS/c17-15(16-9-5-1-2-6-10-16)13-11-18-14-8-4-3-7-12(13)14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyQLQOMSZWECJNAR-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.92
Rot. Bonds1

About azepan-1-yl(1-benzothiophen-3-yl)methanone

azepan-1-yl(1-benzothiophen-3-yl)methanone (PubChem CID 1245639) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is azepan-1-yl(1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(1-benzothiophen-3-yl)methanone
PubChem CID1245639
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Nameazepan-1-yl(1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCCCCC1
InChIInChI=1S/C15H17NOS/c17-15(16-9-5-1-2-6-10-16)13-11-18-14-8-4-3-7-12(13)14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyQLQOMSZWECJNAR-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(1-benzothiophen-3-yl)methanone?
The IUPAC name of azepan-1-yl(1-benzothiophen-3-yl)methanone (CID 1245639) is azepan-1-yl(1-benzothiophen-3-yl)methanone.
What is the SMILES notation for azepan-1-yl(1-benzothiophen-3-yl)methanone?
The canonical SMILES for azepan-1-yl(1-benzothiophen-3-yl)methanone is O=C(c1csc2ccccc12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(1-benzothiophen-3-yl)methanone?
The InChIKey is QLQOMSZWECJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c17-15(16-9-5-1-2-6-10-16)13-11-18-14-8-4-3-7-12(13)14/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of azepan-1-yl(1-benzothiophen-3-yl)methanone?
azepan-1-yl(1-benzothiophen-3-yl)methanone has a molecular weight of 259.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 1245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).