methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate

C13H19N3OS — CID 15746494

IUPACmethyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
SMILESC/N=C(/Nc1ccccc1N1CCOCC1)SC
InChIInChI=1S/C13H19N3OS/c1-14-13(18-2)15-11-5-3-4-6-12(11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyWDAZZMDUAXHHCO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.28
Rot. Bonds2

About methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate

methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate (PubChem CID 15746494) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
PubChem CID15746494
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Namemethyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
SMILESC/N=C(/Nc1ccccc1N1CCOCC1)SC
InChIInChI=1S/C13H19N3OS/c1-14-13(18-2)15-11-5-3-4-6-12(11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyWDAZZMDUAXHHCO-UHFFFAOYSA-N
XLogP2.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
CID 150037240
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
CID 88902286
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
CID 15746255
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134

Frequently Asked Questions

What is the IUPAC name of methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate?
The IUPAC name of methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate (CID 15746494) is methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate.
What is the SMILES notation for methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate?
The canonical SMILES for methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate is C/N=C(/Nc1ccccc1N1CCOCC1)SC.
What is the InChIKey of methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate?
The InChIKey is WDAZZMDUAXHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-14-13(18-2)15-11-5-3-4-6-12(11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,15).
What are the key properties of methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate?
methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate has a molecular weight of 265.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate is sourced from PubChem (CID 15746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).