N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

C11H14BrNOS — CID 131169709

IUPACN-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1ccsc1Br
InChIInChI=1S/C11H14BrNOS/c1-11(2)5-8(11)10(14)13-6-7-3-4-15-9(7)12/h3-4,8H,5-6H2,1-2H3,(H,13,14)
InChIKeyQTJGECJGUVBQMN-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.17
Rot. Bonds3

About N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 131169709) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID131169709
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1ccsc1Br
InChIInChI=1S/C11H14BrNOS/c1-11(2)5-8(11)10(14)13-6-7-3-4-15-9(7)12/h3-4,8H,5-6H2,1-2H3,(H,13,14)
InChIKeyQTJGECJGUVBQMN-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 131169709) is N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCc1ccsc1Br.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QTJGECJGUVBQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-11(2)5-8(11)10(14)13-6-7-3-4-15-9(7)12/h3-4,8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131169709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).