2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide

C15H22N2OS — CID 2957987

IUPAC2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide
SMILESCC1CN(C(=S)NCCc2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2OS/c1-12-10-17(11-13(2)18-12)15(19)16-9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,19)
InChIKeyQOTWLLXHVXCYHF-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.21
Rot. Bonds3

About 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide

2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide (PubChem CID 2957987) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide
PubChem CID2957987
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide
SMILESCC1CN(C(=S)NCCc2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2OS/c1-12-10-17(11-13(2)18-12)15(19)16-9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,19)
InChIKeyQOTWLLXHVXCYHF-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.21
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

N4-Phenethylmorpholine-4-carbothioamide
CID 2725328
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(2-methoxyethyl)-4-(3-phenyl-2-propen-1-yl)-1-piperazinecarbothioamide
CID 2170847
1-[2-(4-Fluorophenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 2171093
N-(Diphenylmethyl)-N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 3396611
N-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
CID 4767732
1-Ethyl-5-phenethyl-1,3,5-triazinane-2-thione
CID 751700
5-Benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
CID 1861041
5-Benzyl-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1865887
5-Butyl-1-phenethyl-1,3,5-triazinane-2-thione
CID 3802801
1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 800645
N,N-dibenzyl-N'-(3-morpholin-4-ylpropyl)thiourea
CID 4623334

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide?
The IUPAC name of 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide (CID 2957987) is 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide?
The canonical SMILES for 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide is CC1CN(C(=S)NCCc2ccccc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide?
The InChIKey is QOTWLLXHVXCYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-10-17(11-13(2)18-12)15(19)16-9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,19).
What are the key properties of 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide?
2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-phenylethyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2957987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).