3-(2-methylsulfonylphenyl)prop-2-en-1-amine

C10H13NO2S — CID 131406462

IUPAC3-(2-methylsulfonylphenyl)prop-2-en-1-amine
SMILESCS(=O)(=O)c1ccccc1C=CCN
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3
InChIKeyYLFWWVJHNZVMBR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.06
Rot. Bonds3

About 3-(2-methylsulfonylphenyl)prop-2-en-1-amine

3-(2-methylsulfonylphenyl)prop-2-en-1-amine (PubChem CID 131406462) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(2-methylsulfonylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methylsulfonylphenyl)prop-2-en-1-amine
PubChem CID131406462
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(2-methylsulfonylphenyl)prop-2-en-1-amine
SMILESCS(=O)(=O)c1ccccc1C=CCN
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3
InChIKeyYLFWWVJHNZVMBR-UHFFFAOYSA-N
XLogP1.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylsulfonylphenyl)prop-2-ene-1-thiol
CID 169455405
(E)-3-(5-bromo-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117468723
2-(3-aminoprop-1-enyl)aniline
CID 67152713
1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
CID 169463496
(E)-3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117391619
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
(E)-3-(3-bromo-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117468724
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117278212
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
1-[(E)-but-1-enyl]-2-(1-methoxyethylsulfonyl)benzene
CID 170298747

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylphenyl)prop-2-en-1-amine?
The IUPAC name of 3-(2-methylsulfonylphenyl)prop-2-en-1-amine (CID 131406462) is 3-(2-methylsulfonylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2-methylsulfonylphenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2-methylsulfonylphenyl)prop-2-en-1-amine is CS(=O)(=O)c1ccccc1C=CCN.
What is the InChIKey of 3-(2-methylsulfonylphenyl)prop-2-en-1-amine?
The InChIKey is YLFWWVJHNZVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3.
What are the key properties of 3-(2-methylsulfonylphenyl)prop-2-en-1-amine?
3-(2-methylsulfonylphenyl)prop-2-en-1-amine has a molecular weight of 211.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 131406462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).