ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate

C9H12BrNO2S — CID 61395355

IUPACethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C9H12BrNO2S/c1-3-13-9(12)11(2)5-7-4-8(10)14-6-7/h4,6H,3,5H2,1-2H3
InChIKeyRWBQMQSHQLGPQG-UHFFFAOYSA-N
MW278.17 g/mol
LogP3.10
Rot. Bonds3

About ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate

ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate (PubChem CID 61395355) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
PubChem CID61395355
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Nameethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C9H12BrNO2S/c1-3-13-9(12)11(2)5-7-4-8(10)14-6-7/h4,6H,3,5H2,1-2H3
InChIKeyRWBQMQSHQLGPQG-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
ethyl 2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]acetate
CID 47390511
ethyl N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methylcarbamate
CID 54986771
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
CID 62899718
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate (CID 61395355) is ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate?
The InChIKey is RWBQMQSHQLGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-3-13-9(12)11(2)5-7-4-8(10)14-6-7/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate?
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate has a molecular weight of 278.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 61395355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).