[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide

C12H20N2O3S — CID 91568267

IUPAC[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide
SMILESCCCNCC(O)c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-7-14-8-12(15)11-5-3-10(4-6-11)9-18(13,16)17/h3-6,12,14-15H,2,7-9H2,1H3,(H2,13,16,17)
InChIKeyJMGGAIVGMIEIJU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.51
Rot. Bonds7

About [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide

[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 91568267) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide
PubChem CID91568267
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide
SMILESCCCNCC(O)c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-7-14-8-12(15)11-5-3-10(4-6-11)9-18(13,16)17/h3-6,12,14-15H,2,7-9H2,1H3,(H2,13,16,17)
InChIKeyJMGGAIVGMIEIJU-UHFFFAOYSA-N
XLogP0.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
CID 142616935
[4-[2-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 86105292
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43745245
1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312624

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide (CID 91568267) is [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide is CCCNCC(O)c1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is JMGGAIVGMIEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-7-14-8-12(15)11-5-3-10(4-6-11)9-18(13,16)17/h3-6,12,14-15H,2,7-9H2,1H3,(H2,13,16,17).
What are the key properties of [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide?
[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 91568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).