1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine

C14H21BrN2O2S2 — CID 61067418

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H21BrN2O2S2/c15-13-6-11-20-14(13)21(18,19)17-9-4-12(5-10-17)16-7-2-1-3-8-16/h6,11-12H,1-5,7-10H2
InChIKeyFQXWGODCAMCOSR-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine

1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 61067418) has the molecular formula C14H21BrN2O2S2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID61067418
Molecular FormulaC14H21BrN2O2S2
Molecular Weight393.37 g/mol
Exact Mass392.02
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H21BrN2O2S2/c15-13-6-11-20-14(13)21(18,19)17-9-4-12(5-10-17)16-7-2-1-3-8-16/h6,11-12H,1-5,7-10H2
InChIKeyFQXWGODCAMCOSR-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 113228721
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
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)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 82701018
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
1-(3-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
CID 119961497
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine (CID 61067418) is 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine is O=S(=O)(c1sccc1Br)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is FQXWGODCAMCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S2/c15-13-6-11-20-14(13)21(18,19)17-9-4-12(5-10-17)16-7-2-1-3-8-16/h6,11-12H,1-5,7-10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine?
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 393.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 61067418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).