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

C11H15BrN2O2S — CID 66239265

IUPAC4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1COCC1N
InChIInChI=1S/C11H15BrN2O2S/c1-14(3-8-2-7(12)6-17-8)11(15)9-4-16-5-10(9)13/h2,6,9-10H,3-5,13H2,1H3
InChIKeyMRRYTKFTQVQKAK-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.44
Rot. Bonds3

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

4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 66239265) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID66239265
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1COCC1N
InChIInChI=1S/C11H15BrN2O2S/c1-14(3-8-2-7(12)6-17-8)11(15)9-4-16-5-10(9)13/h2,6,9-10H,3-5,13H2,1H3
InChIKeyMRRYTKFTQVQKAK-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 78879991
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-oxocyclohexane-1-carboxamide
CID 115150459
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide (CID 66239265) is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1cc(Br)cs1)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is MRRYTKFTQVQKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-14(3-8-2-7(12)6-17-8)11(15)9-4-16-5-10(9)13/h2,6,9-10H,3-5,13H2,1H3.
What are the key properties of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66239265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).