N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide

C14H22N2O3S — CID 115510319

IUPACN-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CC(NCCNS(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O3S/c1-19-14-6-4-11-3-5-13(9-12(11)10-14)15-7-8-16-20(2,17)18/h4,6,10,13,15-16H,3,5,7-9H2,1-2H3
InChIKeyWACCJXCZAAZBIK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.69
Rot. Bonds6

About N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 115510319) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
PubChem CID115510319
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CC(NCCNS(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O3S/c1-19-14-6-4-11-3-5-13(9-12(11)10-14)15-7-8-16-20(2,17)18/h4,6,10,13,15-16H,3,5,7-9H2,1-2H3
InChIKeyWACCJXCZAAZBIK-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.69
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

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510529
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654
7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103901402

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide (CID 115510319) is N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide is COc1ccc2c(c1)CC(NCCNS(C)(=O)=O)CC2.
What is the InChIKey of N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is WACCJXCZAAZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-14-6-4-11-3-5-13(9-12(11)10-14)15-7-8-16-20(2,17)18/h4,6,10,13,15-16H,3,5,7-9H2,1-2H3.
What are the key properties of N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 115510319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).