1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine

C10H13BrFNO2S2 — CID 155976729

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CF)CC1
InChIInChI=1S/C10H13BrFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2
InChIKeyKNFYIOKEDOVSBV-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine

1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine (PubChem CID 155976729) has the molecular formula C10H13BrFNO2S2 and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
PubChem CID155976729
Molecular FormulaC10H13BrFNO2S2
Molecular Weight342.26 g/mol
Exact Mass340.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CF)CC1
InChIInChI=1S/C10H13BrFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2
InChIKeyKNFYIOKEDOVSBV-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine (CID 155976729) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine is O=S(=O)(c1ccc(Br)s1)N1CCC(CF)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The InChIKey is KNFYIOKEDOVSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine has a molecular weight of 342.26 g/mol, XLogP of 2.88, 3 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-4-(fluoromethyl)piperidine is sourced from PubChem (CID 155976729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).