(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine

C15H18N2OS — CID 103938100

IUPAC(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H18N2OS/c1-3-14(16)15-9-8-13(10-17-15)19-12-6-4-11(18-2)5-7-12/h4-10,14H,3,16H2,1-2H3/t14-/m1/s1
InChIKeyDGQMPIJTWIETLJ-CQSZACIVSA-N
MW274.39 g/mol
LogP3.65
Rot. Bonds5

About (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine

(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 103938100) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID103938100
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H18N2OS/c1-3-14(16)15-9-8-13(10-17-15)19-12-6-4-11(18-2)5-7-12/h4-10,14H,3,16H2,1-2H3/t14-/m1/s1
InChIKeyDGQMPIJTWIETLJ-CQSZACIVSA-N
XLogP3.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585010
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 103938113
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine (CID 103938100) is (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(Sc2ccc(OC)cc2)cn1.
What is the InChIKey of (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is DGQMPIJTWIETLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-14(16)15-9-8-13(10-17-15)19-12-6-4-11(18-2)5-7-12/h4-10,14H,3,16H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).