(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one

C15H18BrN3O2S — CID 100816519

IUPAC(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCSCC1
InChIInChI=1S/C15H18BrN3O2S/c1-10(15(20)19-5-7-22-8-6-19)21-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyHJXBQEOTRPWWDJ-SNVBAGLBSA-N
MW384.30 g/mol
LogP2.68
Rot. Bonds3

About (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one

(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 100816519) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one
PubChem CID100816519
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCSCC1
InChIInChI=1S/C15H18BrN3O2S/c1-10(15(20)19-5-7-22-8-6-19)21-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyHJXBQEOTRPWWDJ-SNVBAGLBSA-N
XLogP2.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100816524
(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100816507
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(1-methylindazol-3-yl)oxypropan-1-one
CID 100816542
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
2-(1-methylindazol-3-yl)oxypropanoic acid
CID 112757766
(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
CID 124676429
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
3-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]oxybenzonitrile
CID 94199628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one (CID 100816519) is (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one is C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCSCC1.
What is the InChIKey of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is HJXBQEOTRPWWDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-10(15(20)19-5-7-22-8-6-19)21-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one?
(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 384.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 100816519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).