2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide

C13H19BrN2OS — CID 82767513

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H19BrN2OS/c1-13(5-3-4-10(13)15)12(17)16(2)7-9-6-11(14)18-8-9/h6,8,10H,3-5,7,15H2,1-2H3
InChIKeySLLHELBJSSHLFL-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide

2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide (PubChem CID 82767513) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
PubChem CID82767513
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H19BrN2OS/c1-13(5-3-4-10(13)15)12(17)16(2)7-9-6-11(14)18-8-9/h6,8,10H,3-5,7,15H2,1-2H3
InChIKeySLLHELBJSSHLFL-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide (CID 82767513) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide is CN(Cc1csc(Br)c1)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The InChIKey is SLLHELBJSSHLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-13(5-3-4-10(13)15)12(17)16(2)7-9-6-11(14)18-8-9/h6,8,10H,3-5,7,15H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).