[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol

C13H21NO3S — CID 107230378

IUPAC[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
SMILESCC(C)S(=O)(=O)CCNCc1cccc(CO)c1
InChIInChI=1S/C13H21NO3S/c1-11(2)18(16,17)7-6-14-9-12-4-3-5-13(8-12)10-15/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3
InChIKeyUGOCSUIIYLNLPJ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.09
Rot. Bonds7

About [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol

[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol (PubChem CID 107230378) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
PubChem CID107230378
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
SMILESCC(C)S(=O)(=O)CCNCc1cccc(CO)c1
InChIInChI=1S/C13H21NO3S/c1-11(2)18(16,17)7-6-14-9-12-4-3-5-13(8-12)10-15/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3
InChIKeyUGOCSUIIYLNLPJ-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol 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

N-[(3-methylphenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723290
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723148
[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
CID 107230636
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
CID 107230401
4-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230565
propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
CID 107230734
methyl 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107230736
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381

Frequently Asked Questions

What is the IUPAC name of [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol (CID 107230378) is [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol is CC(C)S(=O)(=O)CCNCc1cccc(CO)c1.
What is the InChIKey of [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol?
The InChIKey is UGOCSUIIYLNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(2)18(16,17)7-6-14-9-12-4-3-5-13(8-12)10-15/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol?
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol has a molecular weight of 271.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).