[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone

C19H24N2O2S — CID 46992350

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone
SMILESCc1ccsc1CNc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H24N2O2S/c1-13-8-9-24-18(13)10-20-17-7-5-4-6-16(17)19(22)21-11-14(2)23-15(3)12-21/h4-9,14-15,20H,10-12H2,1-3H3/t14-,15+
InChIKeyMCDAPTRKNLSZER-GASCZTMLSA-N
MW344.48 g/mol
LogP3.92
Rot. Bonds4

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone (PubChem CID 46992350) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone
PubChem CID46992350
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone
SMILESCc1ccsc1CNc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H24N2O2S/c1-13-8-9-24-18(13)10-20-17-7-5-4-6-16(17)19(22)21-11-14(2)23-15(3)12-21/h4-9,14-15,20H,10-12H2,1-3H3/t14-,15+
InChIKeyMCDAPTRKNLSZER-GASCZTMLSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone (CID 46992350) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone is Cc1ccsc1CNc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone?
The InChIKey is MCDAPTRKNLSZER-GASCZTMLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-8-9-24-18(13)10-20-17-7-5-4-6-16(17)19(22)21-11-14(2)23-15(3)12-21/h4-9,14-15,20H,10-12H2,1-3H3/t14-,15+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3-methylthiophen-2-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 46992350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).