2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine

C12H19NO3S — CID 81202614

IUPAC2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(9-13)10-17(14,15)8-7-16-12-5-3-2-4-6-12/h2-6,11H,7-10,13H2,1H3
InChIKeyPQDQJTLUCIJDMX-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.08
Rot. Bonds7

About 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine

2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine (PubChem CID 81202614) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
PubChem CID81202614
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(9-13)10-17(14,15)8-7-16-12-5-3-2-4-6-12/h2-6,11H,7-10,13H2,1H3
InChIKeyPQDQJTLUCIJDMX-UHFFFAOYSA-N
XLogP1.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(2-phenoxyethylsulfonyl)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

3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine
CID 81197862
2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
CID 81188680
2-phenoxyethanesulfonamide
CID 54595861
1-[2-(4-bromophenoxy)ethylsulfonyl]propan-2-amine
CID 81189902
4-(3-phenoxypropylsulfonyl)butan-2-amine
CID 81193496
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
3-(2-phenoxyethylsulfonyl)butanoic acid
CID 66113224
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine (CID 81202614) is 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)CCOc1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine?
The InChIKey is PQDQJTLUCIJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-11(9-13)10-17(14,15)8-7-16-12-5-3-2-4-6-12/h2-6,11H,7-10,13H2,1H3.
What are the key properties of 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine?
2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81202614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).