N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine

C16H21NO2S — CID 14909498

IUPACN,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine
SMILESCCN(CC)c1c(C)cc2ccccc2c1S(C)(=O)=O
InChIInChI=1S/C16H21NO2S/c1-5-17(6-2)15-12(3)11-13-9-7-8-10-14(13)16(15)20(4,18)19/h7-11H,5-6H2,1-4H3
InChIKeyYROPYJJUKGDREM-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.40
Rot. Bonds4

About N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine

N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine (PubChem CID 14909498) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine
PubChem CID14909498
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine
SMILESCCN(CC)c1c(C)cc2ccccc2c1S(C)(=O)=O
InChIInChI=1S/C16H21NO2S/c1-5-17(6-2)15-12(3)11-13-9-7-8-10-14(13)16(15)20(4,18)19/h7-11H,5-6H2,1-4H3
InChIKeyYROPYJJUKGDREM-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine?
The IUPAC name of N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine (CID 14909498) is N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine?
The canonical SMILES for N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine is CCN(CC)c1c(C)cc2ccccc2c1S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine?
The InChIKey is YROPYJJUKGDREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-17(6-2)15-12(3)11-13-9-7-8-10-14(13)16(15)20(4,18)19/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine?
N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine is sourced from PubChem (CID 14909498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).