1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine

C13H18BrNO4S3 — CID 90594043

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C13H18BrNO4S3/c14-12-6-7-13(20-12)22(18,19)15-8-11(9-15)21(16,17)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2
InChIKeyRJPMUBFLXIVOOC-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.63
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine

1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine (PubChem CID 90594043) has the molecular formula C13H18BrNO4S3 and a molecular weight of 428.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
PubChem CID90594043
Molecular FormulaC13H18BrNO4S3
Molecular Weight428.40 g/mol
Exact Mass426.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C13H18BrNO4S3/c14-12-6-7-13(20-12)22(18,19)15-8-11(9-15)21(16,17)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2
InChIKeyRJPMUBFLXIVOOC-UHFFFAOYSA-N
XLogP2.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
methyl 1-(5-bromothiophen-2-yl)sulfonyl-5-cyclohexylpiperidine-3-carboxylate
CID 166793999
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
2-[1-(5-bromothiophen-2-yl)sulfonylazetidin-3-yl]acetic acid
CID 64619030
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
6-(5-bromothiophen-2-yl)sulfonyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200124
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine (CID 90594043) is 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine is O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine?
The InChIKey is RJPMUBFLXIVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S3/c14-12-6-7-13(20-12)22(18,19)15-8-11(9-15)21(16,17)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine?
1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine has a molecular weight of 428.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine is sourced from PubChem (CID 90594043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).