2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide

C14H21BrN2OS — CID 82763927

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C14H21BrN2OS/c1-3-17(9-10-6-7-12(15)19-10)13(18)14(2)8-4-5-11(14)16/h6-7,11H,3-5,8-9,16H2,1-2H3
InChIKeyNIJNDIRXBDOCKI-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide (PubChem CID 82763927) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
PubChem CID82763927
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C14H21BrN2OS/c1-3-17(9-10-6-7-12(15)19-10)13(18)14(2)8-4-5-11(14)16/h6-7,11H,3-5,8-9,16H2,1-2H3
InChIKeyNIJNDIRXBDOCKI-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.38
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-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide (CID 82763927) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide is CCN(Cc1ccc(Br)s1)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The InChIKey is NIJNDIRXBDOCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-3-17(9-10-6-7-12(15)19-10)13(18)14(2)8-4-5-11(14)16/h6-7,11H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.38, 4 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-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).