[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine

C12H19BrN2S — CID 102841560

IUPAC[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1sc(CN2CCCCC2CN)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-9-12(13)6-11(16-9)8-15-5-3-2-4-10(15)7-14/h6,10H,2-5,7-8,14H2,1H3
InChIKeyMDIUEWHIHXDSJT-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.13
Rot. Bonds3

About [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine

[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 102841560) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
PubChem CID102841560
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1sc(CN2CCCCC2CN)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-9-12(13)6-11(16-9)8-15-5-3-2-4-10(15)7-14/h6,10H,2-5,7-8,14H2,1H3
InChIKeyMDIUEWHIHXDSJT-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine with MolForge

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Related Compounds

3-[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 102845006
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885780
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine (CID 102841560) is [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine is Cc1sc(CN2CCCCC2CN)cc1Br.
What is the InChIKey of [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is MDIUEWHIHXDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9-12(13)6-11(16-9)8-15-5-3-2-4-10(15)7-14/h6,10H,2-5,7-8,14H2,1H3.
What are the key properties of [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine?
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 303.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 102841560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).