[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone

C15H21BrN2O4S2 — CID 25490243

IUPAC[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1
InChIInChI=1S/C15H21BrN2O4S2/c1-11-9-17(7-8-22-11)15(19)12-3-2-6-18(10-12)24(20,21)14-5-4-13(16)23-14/h4-5,11-12H,2-3,6-10H2,1H3/t11-,12-/m1/s1
InChIKeyDOUFLOUPDXMCBD-VXGBXAGGSA-N
MW437.38 g/mol
LogP2.16
Rot. Bonds3

About [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone

[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 25490243) has the molecular formula C15H21BrN2O4S2 and a molecular weight of 437.38 g/mol. Its IUPAC name is [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID25490243
Molecular FormulaC15H21BrN2O4S2
Molecular Weight437.38 g/mol
Exact Mass436.01
IUPAC Name[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1
InChIInChI=1S/C15H21BrN2O4S2/c1-11-9-17(7-8-22-11)15(19)12-3-2-6-18(10-12)24(20,21)14-5-4-13(16)23-14/h4-5,11-12H,2-3,6-10H2,1H3/t11-,12-/m1/s1
InChIKeyDOUFLOUPDXMCBD-VXGBXAGGSA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 41123423
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone (CID 25490243) is [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1.
What is the InChIKey of [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is DOUFLOUPDXMCBD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21BrN2O4S2/c1-11-9-17(7-8-22-11)15(19)12-3-2-6-18(10-12)24(20,21)14-5-4-13(16)23-14/h4-5,11-12H,2-3,6-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
[(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 437.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 25490243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).