N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide

C15H20N2O2S — CID 43208132

IUPACN-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2O2S/c1-12(16-9-10-17-20(2,18)19)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12,16-17H,9-10H2,1-2H3
InChIKeyXMSZHMKHYMBXIK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide

N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide (PubChem CID 43208132) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
PubChem CID43208132
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2O2S/c1-12(16-9-10-17-20(2,18)19)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12,16-17H,9-10H2,1-2H3
InChIKeyXMSZHMKHYMBXIK-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide (CID 43208132) is N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide?
The InChIKey is XMSZHMKHYMBXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(16-9-10-17-20(2,18)19)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12,16-17H,9-10H2,1-2H3.
What are the key properties of N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide?
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43208132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).