(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine

C12H15N3OS — CID 103959551

IUPAC(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Sc1nnc(C)o1
InChIInChI=1S/C12H15N3OS/c1-3-10(13)9-6-4-5-7-11(9)17-12-15-14-8(2)16-12/h4-7,10H,3,13H2,1-2H3/t10-/m1/s1
InChIKeyPSDYIPAVRQKFKD-SNVBAGLBSA-N
MW249.34 g/mol
LogP2.94
Rot. Bonds4

About (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine

(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine (PubChem CID 103959551) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
PubChem CID103959551
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Sc1nnc(C)o1
InChIInChI=1S/C12H15N3OS/c1-3-10(13)9-6-4-5-7-11(9)17-12-15-14-8(2)16-12/h4-7,10H,3,13H2,1-2H3/t10-/m1/s1
InChIKeyPSDYIPAVRQKFKD-SNVBAGLBSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60878650
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine
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(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
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1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
(1S)-1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 113358898
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
CID 112678650
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine (CID 103959551) is (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Sc1nnc(C)o1.
What is the InChIKey of (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The InChIKey is PSDYIPAVRQKFKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-10(13)9-6-4-5-7-11(9)17-12-15-14-8(2)16-12/h4-7,10H,3,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine is sourced from PubChem (CID 103959551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).