1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile

C10H11BrN2O2S2 — CID 48946496

IUPAC1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile
SMILESN#CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H11BrN2O2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-6H2
InChIKeyGCGQQOHLXIDLCJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.43
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile

1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile (PubChem CID 48946496) has the molecular formula C10H11BrN2O2S2 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile
PubChem CID48946496
Molecular FormulaC10H11BrN2O2S2
Molecular Weight335.25 g/mol
Exact Mass333.94
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile
SMILESN#CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H11BrN2O2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-6H2
InChIKeyGCGQQOHLXIDLCJ-UHFFFAOYSA-N
XLogP2.43
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile (CID 48946496) is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile is N#CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile?
The InChIKey is GCGQQOHLXIDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile?
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile has a molecular weight of 335.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 48946496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).