N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide

C13H14N2O2S — CID 867251

IUPACN-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
SMILESCC(=NNS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14N2O2S/c1-10(14-15-18(2,16)17)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,15H,1-2H3
InChIKeyITBWEEFHDUKMRY-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.11
Rot. Bonds3

About N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide

N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide (PubChem CID 867251) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
PubChem CID867251
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
SMILESCC(=NNS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14N2O2S/c1-10(14-15-18(2,16)17)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,15H,1-2H3
InChIKeyITBWEEFHDUKMRY-UHFFFAOYSA-N
XLogP2.11
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide?
The IUPAC name of N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide (CID 867251) is N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide?
The canonical SMILES for N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide is CC(=NNS(C)(=O)=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide?
The InChIKey is ITBWEEFHDUKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10(14-15-18(2,16)17)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,15H,1-2H3.
What are the key properties of N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide?
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide is sourced from PubChem (CID 867251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).