N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine

C10H11BrN2S — CID 102836378

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine
SMILESCc1sc(CNn2cccc2)cc1Br
InChIInChI=1S/C10H11BrN2S/c1-8-10(11)6-9(14-8)7-12-13-4-2-3-5-13/h2-6,12H,7H2,1H3
InChIKeyCFSCJIRJONQCDB-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.36
Rot. Bonds3

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine (PubChem CID 102836378) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine
PubChem CID102836378
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine
SMILESCc1sc(CNn2cccc2)cc1Br
InChIInChI=1S/C10H11BrN2S/c1-8-10(11)6-9(14-8)7-12-13-4-2-3-5-13/h2-6,12H,7H2,1H3
InChIKeyCFSCJIRJONQCDB-UHFFFAOYSA-N
XLogP3.36
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 102836382
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
CID 102831548
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 102836995
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
CID 102835062
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 114008920
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643706
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylaniline
CID 102830288
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine (CID 102836378) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine is Cc1sc(CNn2cccc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine?
The InChIKey is CFSCJIRJONQCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-8-10(11)6-9(14-8)7-12-13-4-2-3-5-13/h2-6,12H,7H2,1H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine has a molecular weight of 271.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 102836378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).