1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine

C11H16BrNO2S2 — CID 115872296

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1C
InChIInChI=1S/C11H16BrNO2S2/c1-8-5-6-13(7-9(8)2)17(14,15)11-4-3-10(12)16-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCJTLTNIAIZYGJW-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.18
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine

1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine (PubChem CID 115872296) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
PubChem CID115872296
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1C
InChIInChI=1S/C11H16BrNO2S2/c1-8-5-6-13(7-9(8)2)17(14,15)11-4-3-10(12)16-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCJTLTNIAIZYGJW-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-3-methyl-N-propylpiperidin-4-amine
CID 114499008
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CID 94917781
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
6-(5-bromothiophen-2-yl)sulfonyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200124
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
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CID 90594043

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine (CID 115872296) is 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine is CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine?
The InChIKey is CJTLTNIAIZYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-8-5-6-13(7-9(8)2)17(14,15)11-4-3-10(12)16-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine?
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine has a molecular weight of 338.29 g/mol, XLogP of 3.18, 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)sulfonyl-3,4-dimethylpiperidine is sourced from PubChem (CID 115872296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).