1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine

C13H20BrNO2S2 — CID 55032535

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNO2S2/c1-13(2,3)10-6-8-15(9-7-10)19(16,17)12-5-4-11(14)18-12/h4-5,10H,6-9H2,1-3H3
InChIKeyLQIDGJUMNXFQHP-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.96
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine

1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine (PubChem CID 55032535) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine
PubChem CID55032535
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNO2S2/c1-13(2,3)10-6-8-15(9-7-10)19(16,17)12-5-4-11(14)18-12/h4-5,10H,6-9H2,1-3H3
InChIKeyLQIDGJUMNXFQHP-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.96
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-tert-butylpiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine (CID 55032535) is 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine is CC(C)(C)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine?
The InChIKey is LQIDGJUMNXFQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-13(2,3)10-6-8-15(9-7-10)19(16,17)12-5-4-11(14)18-12/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine?
1-(5-bromothiophen-2-yl)sulfonyl-4-tert-butylpiperidine has a molecular weight of 366.35 g/mol, XLogP of 3.96, 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-4-tert-butylpiperidine is sourced from PubChem (CID 55032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).