2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol

C15H25NO3S — CID 106730774

IUPAC2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CN)(CO)c1ccccc1C
InChIInChI=1S/C15H25NO3S/c1-3-9-20(18,19)10-8-15(11-16,12-17)14-7-5-4-6-13(14)2/h4-7,17H,3,8-12,16H2,1-2H3
InChIKeyXXIUNQIGGSGJHC-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.40
Rot. Bonds8

About 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol

2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol (PubChem CID 106730774) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol
PubChem CID106730774
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CN)(CO)c1ccccc1C
InChIInChI=1S/C15H25NO3S/c1-3-9-20(18,19)10-8-15(11-16,12-17)14-7-5-4-6-13(14)2/h4-7,17H,3,8-12,16H2,1-2H3
InChIKeyXXIUNQIGGSGJHC-UHFFFAOYSA-N
XLogP1.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol 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-Amino-3-(4-fluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65185323
1-Amino-2-(2-fluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65185517
1-Amino-2-(4-fluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65185784
4-Amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65185869
1-Amino-2-(3,5-difluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65189382
4-Amino-3-(2,4-difluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189434
1-Amino-2-(2,4-difluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65189676
4-Amino-3-(3,5-difluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189953
4-Amino-3-(3-fluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189981
4-Amino-1-methylsulfonyl-3-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65190141
1-Amino-2-(3-fluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65190496
[(1R,2S,3R)-1-(aminomethyl)-2-(4-fluorophenyl)-3-methylsulfonylcyclopropyl]methanol
CID 100015253

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol (CID 106730774) is 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol is CCCS(=O)(=O)CCC(CN)(CO)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol?
The InChIKey is XXIUNQIGGSGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-9-20(18,19)10-8-15(11-16,12-17)14-7-5-4-6-13(14)2/h4-7,17H,3,8-12,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol?
2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol has a molecular weight of 299.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol is sourced from PubChem (CID 106730774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).