(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine

C13H20FNO2S — CID 73053479

IUPAC(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
SMILESCC[C@@H](C)NCCS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO2S/c1-3-11(2)15-7-8-18(16,17)10-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyOXCURENMXVAYKD-LLVKDONJSA-N
MW273.37 g/mol
LogP2.13
Rot. Bonds7

About (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine

(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine (PubChem CID 73053479) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
PubChem CID73053479
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC Name(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
SMILESCC[C@@H](C)NCCS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO2S/c1-3-11(2)15-7-8-18(16,17)10-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyOXCURENMXVAYKD-LLVKDONJSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine?
The IUPAC name of (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine (CID 73053479) is (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine is CC[C@@H](C)NCCS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine?
The InChIKey is OXCURENMXVAYKD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-3-11(2)15-7-8-18(16,17)10-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine?
(2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine is sourced from PubChem (CID 73053479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).