N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide

C13H18Br2N2OS — CID 107963621

IUPACN-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Br)sc1Br)C1CCCCC1CN
InChIInChI=1S/C13H18Br2N2OS/c1-17(10-5-3-2-4-8(10)7-16)13(18)9-6-11(14)19-12(9)15/h6,8,10H,2-5,7,16H2,1H3
InChIKeyJGNQONHDXHRGEU-UHFFFAOYSA-N
MW410.18 g/mol
LogP3.86
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide (PubChem CID 107963621) has the molecular formula C13H18Br2N2OS and a molecular weight of 410.18 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
PubChem CID107963621
Molecular FormulaC13H18Br2N2OS
Molecular Weight410.18 g/mol
Exact Mass407.95
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Br)sc1Br)C1CCCCC1CN
InChIInChI=1S/C13H18Br2N2OS/c1-17(10-5-3-2-4-8(10)7-16)13(18)9-6-11(14)19-12(9)15/h6,8,10H,2-5,7,16H2,1H3
InChIKeyJGNQONHDXHRGEU-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 114031291
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide (CID 107963621) is N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide is CN(C(=O)c1cc(Br)sc1Br)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide?
The InChIKey is JGNQONHDXHRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2OS/c1-17(10-5-3-2-4-8(10)7-16)13(18)9-6-11(14)19-12(9)15/h6,8,10H,2-5,7,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide has a molecular weight of 410.18 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 107963621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).