(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine

C16H19NO2S2 — CID 103719165

IUPAC(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S2/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m0/s1
InChIKeyQGVKWOUQQTXDHD-HNNXBMFYSA-N
MW321.47 g/mol
LogP3.65
Rot. Bonds5

About (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine

(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine (PubChem CID 103719165) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
PubChem CID103719165
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S2/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m0/s1
InChIKeyQGVKWOUQQTXDHD-HNNXBMFYSA-N
XLogP3.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
2-(4-methylsulfonylphenyl)sulfanylbenzaldehyde
CID 63803584
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
1-(2-phenylsulfanylphenyl)pentan-1-amine
CID 58625272
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine (CID 103719165) is (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine is CC[C@H](N)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine?
The InChIKey is QGVKWOUQQTXDHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine?
(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine has a molecular weight of 321.47 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 (1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 103719165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).