[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine

C14H15NO2S2 — CID 63237915

IUPAC[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Sc2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3
InChIKeyBQACBUCOIVJBSP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds4

About [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine

[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine (PubChem CID 63237915) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
PubChem CID63237915
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Sc2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3
InChIKeyBQACBUCOIVJBSP-UHFFFAOYSA-N
XLogP2.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 102818754
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
2-[2-methyl-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 63818208
[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 63238136
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
CID 12006738
1-ethyl-4-methylsulfonylbenzene
CID 143759723
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine (CID 63237915) is [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine is CS(=O)(=O)c1ccc(Sc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The InChIKey is BQACBUCOIVJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 63237915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).