azepan-2-yl-(5-chlorothiophen-2-yl)methanone

C11H14ClNOS — CID 116582505

IUPACazepan-2-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1CCCCCN1
InChIInChI=1S/C11H14ClNOS/c12-10-6-5-9(15-10)11(14)8-4-2-1-3-7-13-8/h5-6,8,13H,1-4,7H2
InChIKeySFKVKYSCWBADSR-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.12
Rot. Bonds2

About azepan-2-yl-(5-chlorothiophen-2-yl)methanone

azepan-2-yl-(5-chlorothiophen-2-yl)methanone (PubChem CID 116582505) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is azepan-2-yl-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(5-chlorothiophen-2-yl)methanone
PubChem CID116582505
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Nameazepan-2-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1CCCCCN1
InChIInChI=1S/C11H14ClNOS/c12-10-6-5-9(15-10)11(14)8-4-2-1-3-7-13-8/h5-6,8,13H,1-4,7H2
InChIKeySFKVKYSCWBADSR-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone
CID 102827007
N-(5-chlorothiophen-2-yl)-N-methylpiperidine-2-carboxamide
CID 115159724
N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119296186
(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
phenyl(piperidin-2-yl)methanone
CID 19772085
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
CID 141098610
(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of azepan-2-yl-(5-chlorothiophen-2-yl)methanone (CID 116582505) is azepan-2-yl-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for azepan-2-yl-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for azepan-2-yl-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(5-chlorothiophen-2-yl)methanone?
The InChIKey is SFKVKYSCWBADSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-6-5-9(15-10)11(14)8-4-2-1-3-7-13-8/h5-6,8,13H,1-4,7H2.
What are the key properties of azepan-2-yl-(5-chlorothiophen-2-yl)methanone?
azepan-2-yl-(5-chlorothiophen-2-yl)methanone has a molecular weight of 243.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 116582505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).