4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine

C11H17BrN2S — CID 64704478

IUPAC4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1ncccc1Br
InChIInChI=1S/C11H17BrN2S/c1-8(13-3)7-9(2)15-11-10(12)5-4-6-14-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyGYRTXFUDBUSLET-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine

4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine (PubChem CID 64704478) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine
PubChem CID64704478
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1ncccc1Br
InChIInChI=1S/C11H17BrN2S/c1-8(13-3)7-9(2)15-11-10(12)5-4-6-14-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyGYRTXFUDBUSLET-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine (CID 64704478) is 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine is CNC(C)CC(C)Sc1ncccc1Br.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine?
The InChIKey is GYRTXFUDBUSLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8(13-3)7-9(2)15-11-10(12)5-4-6-14-11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine?
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpentan-2-amine is sourced from PubChem (CID 64704478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).