1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine

C14H23NO2S — CID 64640615

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
SMILESCCNC(CC)CS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-13(15-6-2)10-18(16,17)14-9-11(3)7-8-12(14)4/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyIFJAUMMNRQHOLP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.47
Rot. Bonds6

About 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine

1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine (PubChem CID 64640615) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
PubChem CID64640615
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
SMILESCCNC(CC)CS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-13(15-6-2)10-18(16,17)14-9-11(3)7-8-12(14)4/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyIFJAUMMNRQHOLP-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine (CID 64640615) is 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine is CCNC(CC)CS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine?
The InChIKey is IFJAUMMNRQHOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-13(15-6-2)10-18(16,17)14-9-11(3)7-8-12(14)4/h7-9,13,15H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine?
1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64640615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).