N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide

C15H20N2O3S — CID 43111802

IUPACN-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H20N2O3S/c1-11(16-9-10-17-21(2,19)20)13-8-7-12-5-3-4-6-14(12)15(13)18/h3-8,11,16-18H,9-10H2,1-2H3
InChIKeyGOXCNYABLBDGMI-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide (PubChem CID 43111802) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
PubChem CID43111802
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H20N2O3S/c1-11(16-9-10-17-21(2,19)20)13-8-7-12-5-3-4-6-14(12)15(13)18/h3-8,11,16-18H,9-10H2,1-2H3
InChIKeyGOXCNYABLBDGMI-UHFFFAOYSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.75
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

N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
CID 61326336

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide (CID 43111802) is N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is GOXCNYABLBDGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(16-9-10-17-21(2,19)20)13-8-7-12-5-3-4-6-14(12)15(13)18/h3-8,11,16-18H,9-10H2,1-2H3.
What are the key properties of N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43111802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).