azepan-1-yl-(4-bromothiophen-2-yl)methanone

C11H14BrNOS — CID 2225278

IUPACazepan-1-yl-(4-bromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1CCCCCC1
InChIInChI=1S/C11H14BrNOS/c12-9-7-10(15-8-9)11(14)13-5-3-1-2-4-6-13/h7-8H,1-6H2
InChIKeyHKIPVNHGULJPIF-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.53
Rot. Bonds1

About azepan-1-yl-(4-bromothiophen-2-yl)methanone

azepan-1-yl-(4-bromothiophen-2-yl)methanone (PubChem CID 2225278) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is azepan-1-yl-(4-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-bromothiophen-2-yl)methanone
PubChem CID2225278
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Nameazepan-1-yl-(4-bromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1CCCCCC1
InChIInChI=1S/C11H14BrNOS/c12-9-7-10(15-8-9)11(14)13-5-3-1-2-4-6-13/h7-8H,1-6H2
InChIKeyHKIPVNHGULJPIF-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 56820615
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-bromothiophen-2-yl)methanone
CID 95589911
[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690080
(4-bromothiophen-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343517
(4-bromothiophen-2-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335278
(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 17173770
(4-bromothiophen-2-yl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341630
(4-bromothiophen-2-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884159
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191124

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-bromothiophen-2-yl)methanone?
The IUPAC name of azepan-1-yl-(4-bromothiophen-2-yl)methanone (CID 2225278) is azepan-1-yl-(4-bromothiophen-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-bromothiophen-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-bromothiophen-2-yl)methanone is O=C(c1cc(Br)cs1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-bromothiophen-2-yl)methanone?
The InChIKey is HKIPVNHGULJPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-9-7-10(15-8-9)11(14)13-5-3-1-2-4-6-13/h7-8H,1-6H2.
What are the key properties of azepan-1-yl-(4-bromothiophen-2-yl)methanone?
azepan-1-yl-(4-bromothiophen-2-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-bromothiophen-2-yl)methanone is sourced from PubChem (CID 2225278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).