N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide

C10H13BrN2O2S — CID 78983752

IUPACN-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1sccc1Br)N1CCOCC1
InChIInChI=1S/C10H13BrN2O2S/c11-8-1-6-16-9(8)7-12-10(14)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,12,14)
InChIKeyHYOVRWRVWJILMH-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.05
Rot. Bonds2

About N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide

N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 78983752) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide
PubChem CID78983752
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1sccc1Br)N1CCOCC1
InChIInChI=1S/C10H13BrN2O2S/c11-8-1-6-16-9(8)7-12-10(14)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,12,14)
InChIKeyHYOVRWRVWJILMH-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
CID 113254231
4-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]oxane-4-carboxamide
CID 115439740
4-[(3-bromothiophen-2-yl)methyl]morpholine;(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
CID 161198104
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
1-(3-bromothiophen-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045801
1-[(3-bromothiophen-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95310612
N-[(3-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164156
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
1-[(3-bromothiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978504
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 113246126
2-[(1,4-oxazepane-4-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379791

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide (CID 78983752) is N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide is O=C(NCc1sccc1Br)N1CCOCC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is HYOVRWRVWJILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-8-1-6-16-9(8)7-12-10(14)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,12,14).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 305.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 78983752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).