1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea

C14H23N3OS2 — CID 46800506

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)(CNC(=S)NCc1cccs1)N1CCOCC1
InChIInChI=1S/C14H23N3OS2/c1-14(2,17-5-7-18-8-6-17)11-16-13(19)15-10-12-4-3-9-20-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,15,16,19)
InChIKeyDMERXKHOPKEOIQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 46800506) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea
PubChem CID46800506
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)(CNC(=S)NCc1cccs1)N1CCOCC1
InChIInChI=1S/C14H23N3OS2/c1-14(2,17-5-7-18-8-6-17)11-16-13(19)15-10-12-4-3-9-20-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,15,16,19)
InChIKeyDMERXKHOPKEOIQ-UHFFFAOYSA-N
XLogP1.82
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26513187
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012343
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
CID 8684485
1-(4-tert-butylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2105931
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea (CID 46800506) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea is CC(C)(CNC(=S)NCc1cccs1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is DMERXKHOPKEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-14(2,17-5-7-18-8-6-17)11-16-13(19)15-10-12-4-3-9-20-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 313.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 46800506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).