[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine

C14H21BrN2S — CID 102844551

IUPAC[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESCc1sc(C2C(CN)CCCN2C2CC2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-9-12(15)7-13(18-9)14-10(8-16)3-2-6-17(14)11-4-5-11/h7,10-11,14H,2-6,8,16H2,1H3
InChIKeyHAWKQNJYLCRDQA-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.69
Rot. Bonds3

About [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine

[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine (PubChem CID 102844551) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
PubChem CID102844551
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESCc1sc(C2C(CN)CCCN2C2CC2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-9-12(15)7-13(18-9)14-10(8-16)3-2-6-17(14)11-4-5-11/h7,10-11,14H,2-6,8,16H2,1H3
InChIKeyHAWKQNJYLCRDQA-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 102844546
[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66481295
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581
2-(aminomethyl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 102841769
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 102845758
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine (CID 102844551) is [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine is Cc1sc(C2C(CN)CCCN2C2CC2)cc1Br.
What is the InChIKey of [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine?
The InChIKey is HAWKQNJYLCRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c1-9-12(15)7-13(18-9)14-10(8-16)3-2-6-17(14)11-4-5-11/h7,10-11,14H,2-6,8,16H2,1H3.
What are the key properties of [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine?
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine has a molecular weight of 329.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine is sourced from PubChem (CID 102844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).