[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine

C11H17NO2S2 — CID 66354536

IUPAC[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
SMILESCCS(=O)(=O)CCSc1cccc(CN)c1
InChIInChI=1S/C11H17NO2S2/c1-2-16(13,14)7-6-15-11-5-3-4-10(8-11)9-12/h3-5,8H,2,6-7,9,12H2,1H3
InChIKeyXNOIQPKOKWVRHO-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.67
Rot. Bonds6

About [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine

[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine (PubChem CID 66354536) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
PubChem CID66354536
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
SMILESCCS(=O)(=O)CCSc1cccc(CN)c1
InChIInChI=1S/C11H17NO2S2/c1-2-16(13,14)7-6-15-11-5-3-4-10(8-11)9-12/h3-5,8H,2,6-7,9,12H2,1H3
InChIKeyXNOIQPKOKWVRHO-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propylsulfanylphenyl)methanamine
CID 66356001
1-[3-(2-ethylsulfonylethylsulfanyl)phenyl]ethanamine
CID 64663148
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932
2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
CID 66354101
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373
N-[[3-(3-ethylsulfonylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348142
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82906977
[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine (CID 66354536) is [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine is CCS(=O)(=O)CCSc1cccc(CN)c1.
What is the InChIKey of [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine?
The InChIKey is XNOIQPKOKWVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-2-16(13,14)7-6-15-11-5-3-4-10(8-11)9-12/h3-5,8H,2,6-7,9,12H2,1H3.
What are the key properties of [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine?
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66354536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).