N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine

C11H15BrN2S — CID 112582518

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
SMILESBrc1cccc(CNCC2CCCS2)n1
InChIInChI=1S/C11H15BrN2S/c12-11-5-1-3-9(14-11)7-13-8-10-4-2-6-15-10/h1,3,5,10,13H,2,4,6-8H2
InChIKeyGTZWGRXDOZPPCU-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.83
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine

N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine (PubChem CID 112582518) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
PubChem CID112582518
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
SMILESBrc1cccc(CNCC2CCCS2)n1
InChIInChI=1S/C11H15BrN2S/c12-11-5-1-3-9(14-11)7-13-8-10-4-2-6-15-10/h1,3,5,10,13H,2,4,6-8H2
InChIKeyGTZWGRXDOZPPCU-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(thiolan-2-ylmethyl)pyridin-2-amine
CID 80585811
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
N-[(2-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600662
N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine
CID 80594885
2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 80585367
N-[(4-cyclopropylphenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584022
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103953751
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 106263581
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
N-[(3-chlorophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80601357
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine (CID 112582518) is N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine is Brc1cccc(CNCC2CCCS2)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine?
The InChIKey is GTZWGRXDOZPPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c12-11-5-1-3-9(14-11)7-13-8-10-4-2-6-15-10/h1,3,5,10,13H,2,4,6-8H2.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine?
N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine has a molecular weight of 287.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 112582518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).