N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide

C9H11BrN2OS — CID 131165790

IUPACN-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
SMILESO=C(NCc1sccc1Br)C1CCN1
InChIInChI=1S/C9H11BrN2OS/c10-6-2-4-14-8(6)5-12-9(13)7-1-3-11-7/h2,4,7,11H,1,3,5H2,(H,12,13)
InChIKeyKNBFZTIMQQTDHV-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.49
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide

N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide (PubChem CID 131165790) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
PubChem CID131165790
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
SMILESO=C(NCc1sccc1Br)C1CCN1
InChIInChI=1S/C9H11BrN2OS/c10-6-2-4-14-8(6)5-12-9(13)7-1-3-11-7/h2,4,7,11H,1,3,5H2,(H,12,13)
InChIKeyKNBFZTIMQQTDHV-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82916985
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
N-[(3-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104917199
3-amino-N-[(3-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759833
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
3-amino-N-[(3-bromothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119759831
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 78986031
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide (CID 131165790) is N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide is O=C(NCc1sccc1Br)C1CCN1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide?
The InChIKey is KNBFZTIMQQTDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-6-2-4-14-8(6)5-12-9(13)7-1-3-11-7/h2,4,7,11H,1,3,5H2,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 131165790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).