N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide

C11H14BrNO2S — CID 115456415

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1(CBr)CC1
InChIInChI=1S/C11H14BrNO2S/c1-15-8-2-5-16-9(8)10(14)13-7-11(6-12)3-4-11/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyKECURTJHQXXMFW-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.66
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 115456415) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
PubChem CID115456415
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1(CBr)CC1
InChIInChI=1S/C11H14BrNO2S/c1-15-8-2-5-16-9(8)10(14)13-7-11(6-12)3-4-11/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyKECURTJHQXXMFW-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 114758221
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97064441

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide (CID 115456415) is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is KECURTJHQXXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-15-8-2-5-16-9(8)10(14)13-7-11(6-12)3-4-11/h2,5H,3-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 115456415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).