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

C14H23BrN2S — CID 102844546

IUPAC[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCc1sc(C2C(CN)CCCN2C(C)C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9(2)17-6-4-5-11(8-16)14(17)13-7-12(15)10(3)18-13/h7,9,11,14H,4-6,8,16H2,1-3H3
InChIKeyKTULXHYCRQHNCW-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.94
Rot. Bonds3

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

[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine (PubChem CID 102844546) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
PubChem CID102844546
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCc1sc(C2C(CN)CCCN2C(C)C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9(2)17-6-4-5-11(8-16)14(17)13-7-12(15)10(3)18-13/h7,9,11,14H,4-6,8,16H2,1-3H3
InChIKeyKTULXHYCRQHNCW-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737
[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 113469892
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
CID 79972102
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 102845787
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
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine (CID 102844546) is [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine is Cc1sc(C2C(CN)CCCN2C(C)C)cc1Br.
What is the InChIKey of [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The InChIKey is KTULXHYCRQHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-9(2)17-6-4-5-11(8-16)14(17)13-7-12(15)10(3)18-13/h7,9,11,14H,4-6,8,16H2,1-3H3.
What are the key properties of [2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine has a molecular weight of 331.32 g/mol, XLogP of 3.94, 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-propan-2-ylpiperidin-3-yl]methanamine is sourced from PubChem (CID 102844546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).