4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine

C15H19NO2S — CID 63192592

IUPAC4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-19(17,18)11-5-10-15(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11,16H2,1H3
InChIKeyWAJDQAXSCDUDRH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.66
Rot. Bonds5

About 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine

4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine (PubChem CID 63192592) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
PubChem CID63192592
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-19(17,18)11-5-10-15(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11,16H2,1H3
InChIKeyWAJDQAXSCDUDRH-UHFFFAOYSA-N
XLogP2.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine (CID 63192592) is 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine is CS(=O)(=O)CCCC(N)c1cccc2ccccc12.
What is the InChIKey of 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine?
The InChIKey is WAJDQAXSCDUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-19(17,18)11-5-10-15(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11,16H2,1H3.
What are the key properties of 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine?
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 63192592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).