N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide

C13H15BrN2OS — CID 47391450

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H15BrN2OS/c1-16(7-10-6-11(14)18-8-10)12(17)13(9-15)4-2-3-5-13/h6,8H,2-5,7H2,1H3
InChIKeyUYBOAECCYCWWFZ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.55
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide (PubChem CID 47391450) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
PubChem CID47391450
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H15BrN2OS/c1-16(7-10-6-11(14)18-8-10)12(17)13(9-15)4-2-3-5-13/h6,8H,2-5,7H2,1H3
InChIKeyUYBOAECCYCWWFZ-UHFFFAOYSA-N
XLogP3.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide (CID 47391450) is N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide is CN(Cc1csc(Br)c1)C(=O)C1(C#N)CCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The InChIKey is UYBOAECCYCWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-16(7-10-6-11(14)18-8-10)12(17)13(9-15)4-2-3-5-13/h6,8H,2-5,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 47391450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).