(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide

C16H24N2O2S — CID 95315876

IUPAC(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
SMILESCSCCc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O2S/c1-12-10-18(11-13(2)20-12)16(19)17-15-6-4-14(5-7-15)8-9-21-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyFGNDQDSFMKQIQD-CHWSQXEVSA-N
MW308.45 g/mol
LogP3.23
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide

(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide (PubChem CID 95315876) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
PubChem CID95315876
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
SMILESCSCCc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O2S/c1-12-10-18(11-13(2)20-12)16(19)17-15-6-4-14(5-7-15)8-9-21-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyFGNDQDSFMKQIQD-CHWSQXEVSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
(2S,6S)-N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 100847173
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(2S)-2-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119300782
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide (CID 95315876) is (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide is CSCCc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is FGNDQDSFMKQIQD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-10-18(11-13(2)20-12)16(19)17-15-6-4-14(5-7-15)8-9-21-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide?
(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 95315876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).