N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide

C15H22N2OS — CID 2807314

IUPACN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
SMILESCc1cccc(C)c1NC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-6-5-7-11(2)14(10)16-15(19)17-8-12(3)18-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,19)
InChIKeyOTUFNFFXFHPOJK-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.11
Rot. Bonds1

About N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide

N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide (PubChem CID 2807314) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
PubChem CID2807314
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
SMILESCc1cccc(C)c1NC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-6-5-7-11(2)14(10)16-15(19)17-8-12(3)18-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,19)
InChIKeyOTUFNFFXFHPOJK-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-Dimethylphenyl)-5-propyl-1,3,5-triazinane-2-thione
CID 751717
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
N-mesityl-N'-(3-methoxypropyl)thiourea
CID 2725146
1-(2,5-Dimethylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731414
N-(2-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2930103
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
4-Morpholinecarboxamide, N-(2,4-dimethylphenyl)-
CID 2306921
N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 3587354
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 19654280
N-(2-hydroxyethyl)-N'-mesitylthiourea
CID 2731083
1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2731006
1-(2,3-Dimethylphenyl)-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 800454

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide (CID 2807314) is N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide is Cc1cccc(C)c1NC(=S)N1CC(C)OC(C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The InChIKey is OTUFNFFXFHPOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-6-5-7-11(2)14(10)16-15(19)17-8-12(3)18-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide?
N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 2807314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).