1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine

C11H16BrNS — CID 83845191

IUPAC1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)c(C2CCCC2)s1
InChIInChI=1S/C11H16BrNS/c1-13-7-9-6-10(12)11(14-9)8-4-2-3-5-8/h6,8,13H,2-5,7H2,1H3
InChIKeyPSXPYTOJZLVHML-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine

1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine (PubChem CID 83845191) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine
PubChem CID83845191
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)c(C2CCCC2)s1
InChIInChI=1S/C11H16BrNS/c1-13-7-9-6-10(12)11(14-9)8-4-2-3-5-8/h6,8,13H,2-5,7H2,1H3
InChIKeyPSXPYTOJZLVHML-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-cyclobutylthiophen-2-yl)-N-methylmethanamine
CID 83844432
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine
CID 83845253
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 102835096
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 114122323
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
1-(4-cyclopropylthiophen-2-yl)-N-methylmethanamine
CID 62490321
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 115750363
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
1-[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 107741690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine (CID 83845191) is 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine is CNCc1cc(Br)c(C2CCCC2)s1.
What is the InChIKey of 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is PSXPYTOJZLVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-13-7-9-6-10(12)11(14-9)8-4-2-3-5-8/h6,8,13H,2-5,7H2,1H3.
What are the key properties of 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 274.23 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83845191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).