N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide

C13H19BrN2OS — CID 115183743

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C13H19BrN2OS/c1-15-9-13(4-3-5-13)12(17)16(2)7-11-6-10(14)8-18-11/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyLIQVZRNHGVZSAE-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.86
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide (PubChem CID 115183743) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
PubChem CID115183743
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C13H19BrN2OS/c1-15-9-13(4-3-5-13)12(17)16(2)7-11-6-10(14)8-18-11/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyLIQVZRNHGVZSAE-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183752
N-ethyl-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183652
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183075
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62271978
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115913456
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopentane-1-carboxamide
CID 55742854
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide (CID 115183743) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide is CNCC1(C(=O)N(C)Cc2cc(Br)cs2)CCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The InChIKey is LIQVZRNHGVZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-15-9-13(4-3-5-13)12(17)16(2)7-11-6-10(14)8-18-11/h6,8,15H,3-5,7,9H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).