N-(5-bromothiophen-2-yl)morpholine-3-carboxamide

C9H11BrN2O2S — CID 115177539

IUPACN-(5-bromothiophen-2-yl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Br)s1)C1COCCN1
InChIInChI=1S/C9H11BrN2O2S/c10-7-1-2-8(15-7)12-9(13)6-5-14-4-3-11-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyHBRWXXCEDZRIPK-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.44
Rot. Bonds2

About N-(5-bromothiophen-2-yl)morpholine-3-carboxamide

N-(5-bromothiophen-2-yl)morpholine-3-carboxamide (PubChem CID 115177539) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)morpholine-3-carboxamide
PubChem CID115177539
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC NameN-(5-bromothiophen-2-yl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Br)s1)C1COCCN1
InChIInChI=1S/C9H11BrN2O2S/c10-7-1-2-8(15-7)12-9(13)6-5-14-4-3-11-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyHBRWXXCEDZRIPK-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
CID 115159357
5-bromo-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238840
N-(3,5-dibromo-2-pyridinyl)morpholine-3-carboxamide
CID 129248527
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)morpholine-3-carboxamide?
The IUPAC name of N-(5-bromothiophen-2-yl)morpholine-3-carboxamide (CID 115177539) is N-(5-bromothiophen-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)morpholine-3-carboxamide is O=C(Nc1ccc(Br)s1)C1COCCN1.
What is the InChIKey of N-(5-bromothiophen-2-yl)morpholine-3-carboxamide?
The InChIKey is HBRWXXCEDZRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-7-1-2-8(15-7)12-9(13)6-5-14-4-3-11-6/h1-2,6,11H,3-5H2,(H,12,13).
What are the key properties of N-(5-bromothiophen-2-yl)morpholine-3-carboxamide?
N-(5-bromothiophen-2-yl)morpholine-3-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 115177539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).