5-(3-methylsulfonylphenyl)pentan-2-amine

C12H19NO2S — CID 83926465

IUPAC5-(3-methylsulfonylphenyl)pentan-2-amine
SMILESCC(N)CCCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO2S/c1-10(13)5-3-6-11-7-4-8-12(9-11)16(2,14)15/h4,7-10H,3,5-6,13H2,1-2H3
InChIKeyHFRZXEIIEZRJSD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.76
Rot. Bonds5

About 5-(3-methylsulfonylphenyl)pentan-2-amine

5-(3-methylsulfonylphenyl)pentan-2-amine (PubChem CID 83926465) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)pentan-2-amine
PubChem CID83926465
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name5-(3-methylsulfonylphenyl)pentan-2-amine
SMILESCC(N)CCCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO2S/c1-10(13)5-3-6-11-7-4-8-12(9-11)16(2,14)15/h4,7-10H,3,5-6,13H2,1-2H3
InChIKeyHFRZXEIIEZRJSD-UHFFFAOYSA-N
XLogP1.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
5-(3-methylphenyl)pentan-2-amine
CID 64502928
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CID 83926961
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
3-(3-methylsulfonylphenyl)propyl thiocyanate
CID 112717687
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)pentan-2-amine?
The IUPAC name of 5-(3-methylsulfonylphenyl)pentan-2-amine (CID 83926465) is 5-(3-methylsulfonylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)pentan-2-amine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)pentan-2-amine is CC(N)CCCc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)pentan-2-amine?
The InChIKey is HFRZXEIIEZRJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(13)5-3-6-11-7-4-8-12(9-11)16(2,14)15/h4,7-10H,3,5-6,13H2,1-2H3.
What are the key properties of 5-(3-methylsulfonylphenyl)pentan-2-amine?
5-(3-methylsulfonylphenyl)pentan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)pentan-2-amine is sourced from PubChem (CID 83926465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).