1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

C15H23BrN2O2S2 — CID 46287316

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C15H23BrN2O2S2/c16-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-8-2-1-3-9-17/h4-5,13H,1-3,6-12H2
InChIKeyIETJYKFXYWHIEG-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.40
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 46287316) has the molecular formula C15H23BrN2O2S2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
PubChem CID46287316
Molecular FormulaC15H23BrN2O2S2
Molecular Weight407.40 g/mol
Exact Mass406.04
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C15H23BrN2O2S2/c16-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-8-2-1-3-9-17/h4-5,13H,1-3,6-12H2
InChIKeyIETJYKFXYWHIEG-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine
CID 3242720
4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide
CID 10767321
1-((5-Bromo-2-thienyl)sulfonyl)piperidine
CID 558610
1-[(5-Bromo-2-thienyl)sulfonyl]-4-methylpiperidine
CID 893468
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-
CID 3078262
4,5-dibromo-N-[3-(4-methylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082147
[1-(5-Bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4670477
1-[(5-Bromothiophen-2-YL)sulfonyl]-4-[(4-methylpiperidin-1-YL)methyl]piperidine
CID 46287353
1-[[1-(5-Bromothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287408
2-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidin-4-YL}-1-(piperidin-1-YL)ethan-1-one
CID 53031705
1-((5-Bromothiophen-2-yl)sulfonyl)-4-(isobutylsulfonyl)piperidine
CID 76148526

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (CID 46287316) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is O=S(=O)(c1ccc(Br)s1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is IETJYKFXYWHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S2/c16-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-8-2-1-3-9-17/h4-5,13H,1-3,6-12H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 407.40 g/mol, XLogP of 3.40, 4 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)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 46287316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).