(4-ethylsulfonylnaphthalen-1-yl)methanamine

C13H15NO2S — CID 97034076

IUPAC(4-ethylsulfonylnaphthalen-1-yl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)c2ccccc12
InChIInChI=1S/C13H15NO2S/c1-2-17(15,16)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,2,9,14H2,1H3
InChIKeyGFLGPRNCNAKECJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.09
Rot. Bonds3

About (4-ethylsulfonylnaphthalen-1-yl)methanamine

(4-ethylsulfonylnaphthalen-1-yl)methanamine (PubChem CID 97034076) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is (4-ethylsulfonylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfonylnaphthalen-1-yl)methanamine
PubChem CID97034076
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name(4-ethylsulfonylnaphthalen-1-yl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)c2ccccc12
InChIInChI=1S/C13H15NO2S/c1-2-17(15,16)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,2,9,14H2,1H3
InChIKeyGFLGPRNCNAKECJ-UHFFFAOYSA-N
XLogP2.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylnaphthalen-1-yl)methanamine?
The IUPAC name of (4-ethylsulfonylnaphthalen-1-yl)methanamine (CID 97034076) is (4-ethylsulfonylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-ethylsulfonylnaphthalen-1-yl)methanamine?
The canonical SMILES for (4-ethylsulfonylnaphthalen-1-yl)methanamine is CCS(=O)(=O)c1ccc(CN)c2ccccc12.
What is the InChIKey of (4-ethylsulfonylnaphthalen-1-yl)methanamine?
The InChIKey is GFLGPRNCNAKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-17(15,16)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,2,9,14H2,1H3.
What are the key properties of (4-ethylsulfonylnaphthalen-1-yl)methanamine?
(4-ethylsulfonylnaphthalen-1-yl)methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 97034076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).