3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol

C11H17NO3S — CID 81196409

IUPAC3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
SMILESCC(CN)CS(=O)(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-9(6-12)7-16(14,15)8-10-3-2-4-11(13)5-10/h2-5,9,13H,6-8,12H2,1H3
InChIKeyMPZPCXYMXSYJBO-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.90
Rot. Bonds5

About 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol

3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol (PubChem CID 81196409) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
PubChem CID81196409
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
SMILESCC(CN)CS(=O)(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-9(6-12)7-16(14,15)8-10-3-2-4-11(13)5-10/h2-5,9,13H,6-8,12H2,1H3
InChIKeyMPZPCXYMXSYJBO-UHFFFAOYSA-N
XLogP0.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol 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-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
3-[(3,4-dimethylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81197359
3-(3-hydroxyphenyl)-2-methylpropane-1-sulfonic acid
CID 115037807
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
3-[(4-tert-butylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81198026
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
3-[(3-hydroxy-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 111469891
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202290
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
CID 81183738

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol?
The IUPAC name of 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol (CID 81196409) is 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol.
What is the SMILES notation for 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol?
The canonical SMILES for 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol is CC(CN)CS(=O)(=O)Cc1cccc(O)c1.
What is the InChIKey of 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol?
The InChIKey is MPZPCXYMXSYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(6-12)7-16(14,15)8-10-3-2-4-11(13)5-10/h2-5,9,13H,6-8,12H2,1H3.
What are the key properties of 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol?
3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol has a molecular weight of 243.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol is sourced from PubChem (CID 81196409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).