N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine

C8H11BrN2S — CID 130941284

IUPACN-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
SMILESBrc1cc(CNC2CNC2)cs1
InChIInChI=1S/C8H11BrN2S/c9-8-1-6(5-12-8)2-11-7-3-10-4-7/h1,5,7,10-11H,2-4H2
InChIKeyUPGVIXAWRUKVMD-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.57
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine

N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine (PubChem CID 130941284) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
PubChem CID130941284
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
SMILESBrc1cc(CNC2CNC2)cs1
InChIInChI=1S/C8H11BrN2S/c9-8-1-6(5-12-8)2-11-7-3-10-4-7/h1,5,7,10-11H,2-4H2
InChIKeyUPGVIXAWRUKVMD-UHFFFAOYSA-N
XLogP1.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951
1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
CID 63910635
2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 38065184
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 71885858
N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine
CID 155103834
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743234
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine (CID 130941284) is N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine is Brc1cc(CNC2CNC2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine?
The InChIKey is UPGVIXAWRUKVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-1-6(5-12-8)2-11-7-3-10-4-7/h1,5,7,10-11H,2-4H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine has a molecular weight of 247.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 130941284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).