1-(3-methylsulfonylphenyl)propan-1-amine

C10H15NO2S — CID 66935160

IUPAC1-(3-methylsulfonylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-3-10(11)8-5-4-6-9(7-8)14(2,12)13/h4-7,10H,3,11H2,1-2H3
InChIKeyMDAOFGKPCKLGQB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-methylsulfonylphenyl)propan-1-amine

1-(3-methylsulfonylphenyl)propan-1-amine (PubChem CID 66935160) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)propan-1-amine
PubChem CID66935160
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(3-methylsulfonylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-3-10(11)8-5-4-6-9(7-8)14(2,12)13/h4-7,10H,3,11H2,1-2H3
InChIKeyMDAOFGKPCKLGQB-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 1-(3-methylsulfonylphenyl)propan-1-amine (CID 66935160) is 1-(3-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-methylsulfonylphenyl)propan-1-amine is CCC(N)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)propan-1-amine?
The InChIKey is MDAOFGKPCKLGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-10(11)8-5-4-6-9(7-8)14(2,12)13/h4-7,10H,3,11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylphenyl)propan-1-amine?
1-(3-methylsulfonylphenyl)propan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 66935160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).