[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

C15H20BrN3OS — CID 163343452

IUPAC[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ncccc2Br)C1)N1CCSCC1
InChIInChI=1S/C15H20BrN3OS/c16-13-4-1-5-17-14(13)19-6-2-3-12(11-19)15(20)18-7-9-21-10-8-18/h1,4-5,12H,2-3,6-11H2
InChIKeyOQNRESIOGQGJTF-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.64
Rot. Bonds2

About [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163343452) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID163343452
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ncccc2Br)C1)N1CCSCC1
InChIInChI=1S/C15H20BrN3OS/c16-13-4-1-5-17-14(13)19-6-2-3-12(11-19)15(20)18-7-9-21-10-8-18/h1,4-5,12H,2-3,6-11H2
InChIKeyOQNRESIOGQGJTF-UHFFFAOYSA-N
XLogP2.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166600752
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974212
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (CID 163343452) is [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCCN(c2ncccc2Br)C1)N1CCSCC1.
What is the InChIKey of [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is OQNRESIOGQGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c16-13-4-1-5-17-14(13)19-6-2-3-12(11-19)15(20)18-7-9-21-10-8-18/h1,4-5,12H,2-3,6-11H2.
What are the key properties of [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 370.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163343452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).