N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine

C9H11BrClNS — CID 102835424

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
SMILESClc1sc(CNC2CCC2)cc1Br
InChIInChI=1S/C9H11BrClNS/c10-8-4-7(13-9(8)11)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2
InChIKeyFJZLMPOJYGNBPD-UHFFFAOYSA-N
MW280.62 g/mol
LogP3.81
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine (PubChem CID 102835424) has the molecular formula C9H11BrClNS and a molecular weight of 280.62 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
PubChem CID102835424
Molecular FormulaC9H11BrClNS
Molecular Weight280.62 g/mol
Exact Mass278.95
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
SMILESClc1sc(CNC2CCC2)cc1Br
InChIInChI=1S/C9H11BrClNS/c10-8-4-7(13-9(8)11)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2
InChIKeyFJZLMPOJYGNBPD-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.62
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
CID 102834010
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 102833952
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]azepane-1-carboxylate
CID 107255053
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
1-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 102833978
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103527151
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102831002
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 102833135

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine (CID 102835424) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine is Clc1sc(CNC2CCC2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The InChIKey is FJZLMPOJYGNBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNS/c10-8-4-7(13-9(8)11)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine has a molecular weight of 280.62 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 102835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).