N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide

C12H13BrN2OS — CID 33171725

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C12H13BrN2OS/c13-10-4-3-9(17-10)7-15-11(16)12(8-14)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,15,16)
InChIKeyMOIOYIUHENOOOZ-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.21
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide (PubChem CID 33171725) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide
PubChem CID33171725
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C12H13BrN2OS/c13-10-4-3-9(17-10)7-15-11(16)12(8-14)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,15,16)
InChIKeyMOIOYIUHENOOOZ-UHFFFAOYSA-N
XLogP3.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide (CID 33171725) is N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)NCc2ccc(Br)s2)CCCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide?
The InChIKey is MOIOYIUHENOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c13-10-4-3-9(17-10)7-15-11(16)12(8-14)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide has a molecular weight of 313.22 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 33171725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).