N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide

C11H15BrN2O2S — CID 47253703

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2csc(Br)c2)CCO1
InChIInChI=1S/C11H15BrN2O2S/c1-8-6-14(2-3-16-8)11(15)13-5-9-4-10(12)17-7-9/h4,7-8H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyNOTKNCCIBWIBPR-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.44
Rot. Bonds2

About N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide (PubChem CID 47253703) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
PubChem CID47253703
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2csc(Br)c2)CCO1
InChIInChI=1S/C11H15BrN2O2S/c1-8-6-14(2-3-16-8)11(15)13-5-9-4-10(12)17-7-9/h4,7-8H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyNOTKNCCIBWIBPR-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(5-bromothiophen-3-yl)methyl]-2-ethylmorpholine-4-carboxamide
CID 97097732
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119064727
2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 61186721
(2S)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]morpholine-4-carboxamide
CID 95761707
(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
CID 94031304
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158456
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 56814055

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide (CID 47253703) is N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide is CC1CN(C(=O)NCc2csc(Br)c2)CCO1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is NOTKNCCIBWIBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-6-14(2-3-16-8)11(15)13-5-9-4-10(12)17-7-9/h4,7-8H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 47253703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).