(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine

C15H23NOS — CID 98870236

IUPAC(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
SMILESC[C@H](N[C@H](C)C1CCC1)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C15H23NOS/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(10-8-14)18(3)17/h7-13,16H,4-6H2,1-3H3/t11-,12+,18+/m1/s1
InChIKeyLYZZQEJEGVSHQL-SOZUMNATSA-N
MW265.42 g/mol
LogP3.26
Rot. Bonds5

About (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine

(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine (PubChem CID 98870236) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
PubChem CID98870236
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
SMILESC[C@H](N[C@H](C)C1CCC1)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C15H23NOS/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(10-8-14)18(3)17/h7-13,16H,4-6H2,1-3H3/t11-,12+,18+/m1/s1
InChIKeyLYZZQEJEGVSHQL-SOZUMNATSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine (CID 98870236) is (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine is C[C@H](N[C@H](C)C1CCC1)c1ccc([S@](C)=O)cc1.
What is the InChIKey of (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine?
The InChIKey is LYZZQEJEGVSHQL-SOZUMNATSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(10-8-14)18(3)17/h7-13,16H,4-6H2,1-3H3/t11-,12+,18+/m1/s1.
What are the key properties of (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine?
(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine is sourced from PubChem (CID 98870236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).