(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide

C15H22N2O2S — CID 971545

IUPAC(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
SMILESCOc1ccc(C)cc1NC(=S)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H22N2O2S/c1-10-5-6-14(18-4)13(7-10)16-15(20)17-8-11(2)19-12(3)9-17/h5-7,11-12H,8-9H2,1-4H3,(H,16,20)/t11-,12-/m1/s1
InChIKeyXGGJRYASQMMAEN-VXGBXAGGSA-N
MW294.42 g/mol
LogP2.81
Rot. Bonds2

About (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide

(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide (PubChem CID 971545) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
PubChem CID971545
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
SMILESCOc1ccc(C)cc1NC(=S)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H22N2O2S/c1-10-5-6-14(18-4)13(7-10)16-15(20)17-8-11(2)19-12(3)9-17/h5-7,11-12H,8-9H2,1-4H3,(H,16,20)/t11-,12-/m1/s1
InChIKeyXGGJRYASQMMAEN-VXGBXAGGSA-N
XLogP2.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-methylpiperidine-1-carbothioamide
CID 17282071
N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carbothioamide
CID 19653629
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide
CID 2807315
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-3,4-dimethoxybenzamide
CID 1242393
4-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide
CID 3530283
(E)-1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 51218594
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
CID 135764170
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
CID 2957337
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The IUPAC name of (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide (CID 971545) is (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide is COc1ccc(C)cc1NC(=S)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The InChIKey is XGGJRYASQMMAEN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-5-6-14(18-4)13(7-10)16-15(20)17-8-11(2)19-12(3)9-17/h5-7,11-12H,8-9H2,1-4H3,(H,16,20)/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide has a molecular weight of 294.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).