4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine

C11H15BrN2O2S2 — CID 66375651

IUPAC4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2S2/c1-2-18(15,16)11-8-17-6-5-14(11)10-4-3-9(12)7-13-10/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyOJQCJPPDFMKZHN-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.16
Rot. Bonds3

About 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine

4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66375651) has the molecular formula C11H15BrN2O2S2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
PubChem CID66375651
Molecular FormulaC11H15BrN2O2S2
Molecular Weight351.29 g/mol
Exact Mass349.98
IUPAC Name4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2S2/c1-2-18(15,16)11-8-17-6-5-14(11)10-4-3-9(12)7-13-10/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyOJQCJPPDFMKZHN-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 66377758
5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carboxylic acid
CID 66377186
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
4-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)benzenecarbothioamide
CID 114903334
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol
CID 115940486
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634904
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
2-bromo-6-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 114881163
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine (CID 66375651) is 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1c1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is OJQCJPPDFMKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S2/c1-2-18(15,16)11-8-17-6-5-14(11)10-4-3-9(12)7-13-10/h3-4,7,11H,2,5-6,8H2,1H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine?
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 351.29 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 4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66375651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).