azepan-2-yl(thiophen-2-yl)methanone

C11H15NOS — CID 116582716

IUPACazepan-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CCCCCN1
InChIInChI=1S/C11H15NOS/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h4,6,8-9,12H,1-3,5,7H2
InChIKeyXSJPDGPXIZCUOA-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.46
Rot. Bonds2

About azepan-2-yl(thiophen-2-yl)methanone

azepan-2-yl(thiophen-2-yl)methanone (PubChem CID 116582716) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is azepan-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(thiophen-2-yl)methanone
PubChem CID116582716
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Nameazepan-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CCCCCN1
InChIInChI=1S/C11H15NOS/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h4,6,8-9,12H,1-3,5,7H2
InChIKeyXSJPDGPXIZCUOA-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
phenyl(piperidin-2-yl)methanone
CID 19772085
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
CID 97165716
(2R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 104913432
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(thiophen-2-yl)methanone?
The IUPAC name of azepan-2-yl(thiophen-2-yl)methanone (CID 116582716) is azepan-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for azepan-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for azepan-2-yl(thiophen-2-yl)methanone is O=C(c1cccs1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl(thiophen-2-yl)methanone?
The InChIKey is XSJPDGPXIZCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h4,6,8-9,12H,1-3,5,7H2.
What are the key properties of azepan-2-yl(thiophen-2-yl)methanone?
azepan-2-yl(thiophen-2-yl)methanone has a molecular weight of 209.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 116582716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).