1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine

C13H21NO2S — CID 103912531

IUPAC1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2S/c1-11(2)17(15,16)10-9-14-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyPNLPSWXLEINCNB-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.16
Rot. Bonds6

About 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine

1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 103912531) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID103912531
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2S/c1-11(2)17(15,16)10-9-14-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyPNLPSWXLEINCNB-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
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1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 103912531) is 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is CC(NCCS(=O)(=O)C(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is PNLPSWXLEINCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11(2)17(15,16)10-9-14-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3.
What are the key properties of 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 103912531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).