1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine

C10H14BrNO2S2 — CID 893468

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H14BrNO2S2/c1-8-4-6-12(7-5-8)16(13,14)10-3-2-9(11)15-10/h2-3,8H,4-7H2,1H3
InChIKeyCHEPIYWIJYHOPN-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.93
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine

1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine (PubChem CID 893468) has the molecular formula C10H14BrNO2S2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine
PubChem CID893468
Molecular FormulaC10H14BrNO2S2
Molecular Weight324.27 g/mol
Exact Mass322.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H14BrNO2S2/c1-8-4-6-12(7-5-8)16(13,14)10-3-2-9(11)15-10/h2-3,8H,4-7H2,1H3
InChIKeyCHEPIYWIJYHOPN-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.93
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-methylpiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine (CID 893468) is 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine?
The InChIKey is CHEPIYWIJYHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S2/c1-8-4-6-12(7-5-8)16(13,14)10-3-2-9(11)15-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine?
1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperidine has a molecular weight of 324.27 g/mol, XLogP of 2.93, 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-methylpiperidine is sourced from PubChem (CID 893468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).