3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine

C10H15BrN2OS — CID 104814115

IUPAC3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2OS/c1-8(4-12)6-15(14)7-10-3-2-9(11)5-13-10/h2-3,5,8H,4,6-7,12H2,1H3
InChIKeyXIKFQGJVWLLLEM-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.69
Rot. Bonds5

About 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine

3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine (PubChem CID 104814115) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
PubChem CID104814115
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2OS/c1-8(4-12)6-15(14)7-10-3-2-9(11)5-13-10/h2-3,5,8H,4,6-7,12H2,1H3
InChIKeyXIKFQGJVWLLLEM-UHFFFAOYSA-N
XLogP1.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine (CID 104814115) is 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine is CC(CN)CS(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The InChIKey is XIKFQGJVWLLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-8(4-12)6-15(14)7-10-3-2-9(11)5-13-10/h2-3,5,8H,4,6-7,12H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine has a molecular weight of 291.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104814115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).