(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine

C14H16N2S — CID 114066633

IUPAC(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C14H16N2S/c1-2-14(15)11-3-5-12(6-4-11)17-13-7-9-16-10-8-13/h3-10,14H,2,15H2,1H3/t14-/m1/s1
InChIKeyVUKYTHKYRIOORD-CQSZACIVSA-N
MW244.36 g/mol
LogP3.64
Rot. Bonds4

About (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine

(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine (PubChem CID 114066633) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
PubChem CID114066633
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C14H16N2S/c1-2-14(15)11-3-5-12(6-4-11)17-13-7-9-16-10-8-13/h3-10,14H,2,15H2,1H3/t14-/m1/s1
InChIKeyVUKYTHKYRIOORD-CQSZACIVSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-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

(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
CID 113247636
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171226809
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
2-[4-(1-aminopropyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136886237
4-pyridin-4-ylsulfanylphenol
CID 15080669
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-[4-(1-aminopropyl)phenyl]propane-1-thiol;ethane
CID 169145239
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine (CID 114066633) is (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine is CC[C@@H](N)c1ccc(Sc2ccncc2)cc1.
What is the InChIKey of (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine?
The InChIKey is VUKYTHKYRIOORD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-14(15)11-3-5-12(6-4-11)17-13-7-9-16-10-8-13/h3-10,14H,2,15H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine?
(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 114066633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).