1-(5-bromothiophen-2-yl)sulfonylazepane

C10H14BrNO2S2 — CID 893724

IUPAC1-(5-bromothiophen-2-yl)sulfonylazepane
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCCCC1
InChIInChI=1S/C10H14BrNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2
InChIKeyDBHBXJHNTUOBCO-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.08
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylazepane

1-(5-bromothiophen-2-yl)sulfonylazepane (PubChem CID 893724) has the molecular formula C10H14BrNO2S2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylazepane
PubChem CID893724
Molecular FormulaC10H14BrNO2S2
Molecular Weight324.27 g/mol
Exact Mass322.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylazepane
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCCCC1
InChIInChI=1S/C10H14BrNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2
InChIKeyDBHBXJHNTUOBCO-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one
CID 166406230
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594043
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945
4-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703300
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylazepane?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylazepane (CID 893724) is 1-(5-bromothiophen-2-yl)sulfonylazepane.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylazepane?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylazepane is O=S(=O)(c1ccc(Br)s1)N1CCCCCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylazepane?
The InChIKey is DBHBXJHNTUOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylazepane?
1-(5-bromothiophen-2-yl)sulfonylazepane has a molecular weight of 324.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylazepane is sourced from PubChem (CID 893724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).