[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol

C13H21NO3S — CID 107230636

IUPAC[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
SMILESCCS(=O)(=O)CCCNCc1cccc(CO)c1
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)8-4-7-14-10-12-5-3-6-13(9-12)11-15/h3,5-6,9,14-15H,2,4,7-8,10-11H2,1H3
InChIKeyZAWOSOZIUSEFQO-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.09
Rot. Bonds8

About [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol

[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol (PubChem CID 107230636) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
PubChem CID107230636
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
SMILESCCS(=O)(=O)CCCNCc1cccc(CO)c1
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)8-4-7-14-10-12-5-3-6-13(9-12)11-15/h3,5-6,9,14-15H,2,4,7-8,10-11H2,1H3
InChIKeyZAWOSOZIUSEFQO-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Related Compounds

[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
3-ethylsulfonyl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 65092733
4-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230565
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
3-ethylsulfonyl-N-(2-phenylethyl)propan-1-amine
CID 65094242
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
N-[[3-(3-ethylsulfonylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348142
[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
CID 107230478
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol (CID 107230636) is [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol is CCS(=O)(=O)CCCNCc1cccc(CO)c1.
What is the InChIKey of [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol?
The InChIKey is ZAWOSOZIUSEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-18(16,17)8-4-7-14-10-12-5-3-6-13(9-12)11-15/h3,5-6,9,14-15H,2,4,7-8,10-11H2,1H3.
What are the key properties of [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol?
[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol has a molecular weight of 271.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).