1-(3-bromothiophen-2-yl)sulfonylpiperidine

C9H12BrNO2S2 — CID 61072332

IUPAC1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCCC1
InChIInChI=1S/C9H12BrNO2S2/c10-8-4-7-14-9(8)15(12,13)11-5-2-1-3-6-11/h4,7H,1-3,5-6H2
InChIKeyMPSZKRJKSLSRCG-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.69
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonylpiperidine

1-(3-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 61072332) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID61072332
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCCC1
InChIInChI=1S/C9H12BrNO2S2/c10-8-4-7-14-9(8)15(12,13)11-5-2-1-3-6-11/h4,7H,1-3,5-6H2
InChIKeyMPSZKRJKSLSRCG-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
CID 63162262
1-(3-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
CID 119961497
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
2-[4-(3-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetic acid
CID 62824660
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonyl-4-(2-chloroethyl)piperazine
CID 63397514
1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
CID 61062865
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
2-(3-bromothiophen-2-yl)sulfonyl-1,3-dihydroisoindole
CID 62231716
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpiperidine (CID 61072332) is 1-(3-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1sccc1Br)N1CCCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is MPSZKRJKSLSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c10-8-4-7-14-9(8)15(12,13)11-5-2-1-3-6-11/h4,7H,1-3,5-6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonylpiperidine?
1-(3-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 310.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 61072332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).