5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

C9H13BrN2S — CID 115657686

IUPAC5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCSCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2S/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3
InChIKeyDZMPEJDLGHNPJP-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (PubChem CID 115657686) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
PubChem CID115657686
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCSCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2S/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3
InChIKeyDZMPEJDLGHNPJP-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
3-bromo-5-(1-methylsulfanylpropan-2-ylamino)benzoic acid
CID 102823351
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (CID 115657686) is 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is CSCC(C)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The InChIKey is DZMPEJDLGHNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine has a molecular weight of 261.19 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 115657686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).