(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone

C10H12BrNO2S — CID 47039165

IUPAC(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sccc2Br)CCO1
InChIInChI=1S/C10H12BrNO2S/c1-7-6-12(3-4-14-7)10(13)9-8(11)2-5-15-9/h2,5,7H,3-4,6H2,1H3
InChIKeyUFDOYJZSVYPDHZ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.37
Rot. Bonds1

About (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone

(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 47039165) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID47039165
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sccc2Br)CCO1
InChIInChI=1S/C10H12BrNO2S/c1-7-6-12(3-4-14-7)10(13)9-8(11)2-5-15-9/h2,5,7H,3-4,6H2,1H3
InChIKeyUFDOYJZSVYPDHZ-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 99598727
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(E)-3-[2-(2-methylmorpholine-4-carbonyl)thiophen-3-yl]prop-2-enoic acid
CID 63800351
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115970006
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 47039165) is (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2sccc2Br)CCO1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is UFDOYJZSVYPDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-7-6-12(3-4-14-7)10(13)9-8(11)2-5-15-9/h2,5,7H,3-4,6H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone?
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 47039165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).