N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide

C15H20N2O3S — CID 892708

IUPACN-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(21)16-14(18)12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,18,21)/t10-,11-/m1/s1
InChIKeyXYTVRQPTZSZZBI-GHMZBOCLSA-N
MW308.40 g/mol
LogP1.82
Rot. Bonds2

About N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide

N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide (PubChem CID 892708) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide
PubChem CID892708
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(21)16-14(18)12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,18,21)/t10-,11-/m1/s1
InChIKeyXYTVRQPTZSZZBI-GHMZBOCLSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
4-(4-Methoxybenzoyl)morpholine
CID 82013
Benzamide, N-tetrahydrofurfuryl-4-methoxy-
CID 532275
AN-329/40202919
CID 1070213
N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
CID 732440
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-cyclohexyl-N'-(4-methoxybenzoyl)-N-methylthiourea
CID 833658
3-bromo-4-methoxy-N-[(4-methyl-1-piperidinyl)carbothioyl]benzamide
CID 1014954
N-[(diallylamino)carbonothioyl]-4-methoxybenzamide
CID 1791946
N-[(2,6-dimethyl-4-morpholinyl)carbonothioyl]-3,4-dimethoxybenzamide
CID 2963484
3,4-dimethoxy-N-(morpholin-4-ylcarbonothioyl)benzamide
CID 3140400
(2,6-Dimethylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 4883241

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide (CID 892708) is N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide?
The InChIKey is XYTVRQPTZSZZBI-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(21)16-14(18)12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,18,21)/t10-,11-/m1/s1.
What are the key properties of N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide?
N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide has a molecular weight of 308.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-4-methoxybenzamide is sourced from PubChem (CID 892708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).