1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone

C15H28N2O2S — CID 124725492

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
SMILESCS[C@@H]1CCC[C@@H]1N(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N2O2S/c1-11-8-17(9-12(2)19-11)15(18)10-16(3)13-6-5-7-14(13)20-4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyBFHVWZREVCXAFQ-XDQVBPFNSA-N
MW300.47 g/mol
LogP1.84
Rot. Bonds4

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone (PubChem CID 124725492) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
PubChem CID124725492
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
SMILESCS[C@@H]1CCC[C@@H]1N(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N2O2S/c1-11-8-17(9-12(2)19-11)15(18)10-16(3)13-6-5-7-14(13)20-4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyBFHVWZREVCXAFQ-XDQVBPFNSA-N
XLogP1.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone (CID 124725492) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone is CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone?
The InChIKey is BFHVWZREVCXAFQ-XDQVBPFNSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-11-8-17(9-12(2)19-11)15(18)10-16(3)13-6-5-7-14(13)20-4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone has a molecular weight of 300.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone is sourced from PubChem (CID 124725492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).