N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide

C14H20BrNOS — CID 113275709

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1(CBr)CCC(C)CC1
InChIInChI=1S/C14H20BrNOS/c1-10-3-5-14(9-15,6-4-10)16-13(17)12-8-18-7-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOMUCESMTWQCLJW-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.13
Rot. Bonds3

About N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide (PubChem CID 113275709) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
PubChem CID113275709
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1(CBr)CCC(C)CC1
InChIInChI=1S/C14H20BrNOS/c1-10-3-5-14(9-15,6-4-10)16-13(17)12-8-18-7-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOMUCESMTWQCLJW-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-difluorobenzamide
CID 114315081
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
CID 164647494
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 114315050
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-hydroxy-3-methoxybenzamide
CID 114314856
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide
CID 106754242
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114315093
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-chloro-4-iodobenzamide
CID 103212546
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide (CID 113275709) is N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC1(CBr)CCC(C)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The InChIKey is OMUCESMTWQCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10-3-5-14(9-15,6-4-10)16-13(17)12-8-18-7-11(12)2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 113275709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).