1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine

C13H15N3S — CID 80644829

IUPAC1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccncc2)nc1
InChIInChI=1S/C13H15N3S/c1-10(14)8-11-2-3-13(16-9-11)17-12-4-6-15-7-5-12/h2-7,9-10H,8,14H2,1H3
InChIKeyPNOYRDNOPXTOEK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.52
Rot. Bonds4

About 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine

1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine (PubChem CID 80644829) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
PubChem CID80644829
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccncc2)nc1
InChIInChI=1S/C13H15N3S/c1-10(14)8-11-2-3-13(16-9-11)17-12-4-6-15-7-5-12/h2-7,9-10H,8,14H2,1H3
InChIKeyPNOYRDNOPXTOEK-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-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

1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80645106
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80650885
1-[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651549
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
1-[6-(1-methylpyrazol-4-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80645212

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine?
The IUPAC name of 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine (CID 80644829) is 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine is CC(N)Cc1ccc(Sc2ccncc2)nc1.
What is the InChIKey of 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine?
The InChIKey is PNOYRDNOPXTOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10(14)8-11-2-3-13(16-9-11)17-12-4-6-15-7-5-12/h2-7,9-10H,8,14H2,1H3.
What are the key properties of 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine?
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 80644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).