(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine

C15H17NO2S2 — CID 78939076

IUPAC(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyWTZXVNZMRKCTOS-LLVKDONJSA-N
MW307.44 g/mol
LogP3.26
Rot. Bonds4

About (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine

(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine (PubChem CID 78939076) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
PubChem CID78939076
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyWTZXVNZMRKCTOS-LLVKDONJSA-N
XLogP3.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 64628350
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfanylbutan-2-amine
CID 64625979
(1S,2S,3R)-1,3-difluoro-1-(4-methylsulfonylphenyl)butan-2-amine
CID 166062873
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine (CID 78939076) is (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine is C[C@@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine?
The InChIKey is WTZXVNZMRKCTOS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine?
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 78939076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).