3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine

C11H17NO2S — CID 117327499

IUPAC3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine
SMILESCc1ccc(CCCN)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9-5-6-10(4-3-7-12)8-11(9)15(2,13)14/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyQBDRDVDZNIUZPS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.29
Rot. Bonds4

About 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine

3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine (PubChem CID 117327499) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine
PubChem CID117327499
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine
SMILESCc1ccc(CCCN)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9-5-6-10(4-3-7-12)8-11(9)15(2,13)14/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyQBDRDVDZNIUZPS-UHFFFAOYSA-N
XLogP1.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methyl-3-methylsulfonylphenyl)butan-1-amine
CID 117355936
5-(4-aminobutyl)-2-methylsulfonylphenol
CID 117360580
3-(4,5-dimethyl-2-methylsulfonylphenyl)propan-1-amine
CID 117355898
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
3-(4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117327500
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
CID 117285805
5-(3-aminopropyl)-2-methoxybenzenesulfonic acid
CID 170867430
3-(4-amino-3-methylsulfonylphenyl)propane-1-thiol
CID 116998644
sodium 5-(3-aminopropyl)-2-methoxybenzenesulfonate
CID 170867429
5-[3-(benzenesulfonyl)propyl]-2-methylbenzenesulfonamide
CID 90685872

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine (CID 117327499) is 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine is Cc1ccc(CCCN)cc1S(C)(=O)=O.
What is the InChIKey of 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine?
The InChIKey is QBDRDVDZNIUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-5-6-10(4-3-7-12)8-11(9)15(2,13)14/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine?
3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 117327499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).