2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide

C13H16N2O3S — CID 43551924

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H16N2O3S/c14-19(17,18)8-7-15-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,15-16H,7-9H2,(H2,14,17,18)
InChIKeyHYFVDGPIRZAFQW-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide

2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide (PubChem CID 43551924) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
PubChem CID43551924
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H16N2O3S/c14-19(17,18)8-7-15-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,15-16H,7-9H2,(H2,14,17,18)
InChIKeyHYFVDGPIRZAFQW-UHFFFAOYSA-N
XLogP0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
CID 61475104
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide (CID 43551924) is 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide is NS(=O)(=O)CCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide?
The InChIKey is HYFVDGPIRZAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-19(17,18)8-7-15-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,15-16H,7-9H2,(H2,14,17,18).
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide?
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 43551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).