(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide

C13H20N2OS2 — CID 95100483

IUPAC(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide
SMILESC[C@@H]1CN(C(=S)NCc2cccs2)CC(C)(C)O1
InChIInChI=1S/C13H20N2OS2/c1-10-8-15(9-13(2,3)16-10)12(17)14-7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyUCVWPQXUJDUGRG-SNVBAGLBSA-N
MW284.45 g/mol
LogP2.62
Rot. Bonds2

About (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide

(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide (PubChem CID 95100483) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide.

Molecular Properties

Compound Name(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide
PubChem CID95100483
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide
SMILESC[C@@H]1CN(C(=S)NCc2cccs2)CC(C)(C)O1
InChIInChI=1S/C13H20N2OS2/c1-10-8-15(9-13(2,3)16-10)12(17)14-7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyUCVWPQXUJDUGRG-SNVBAGLBSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-1,3,3-trimethyl-N-(thiophen-2-ylmethyl)-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 2401168
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 114779811
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
CID 46800236
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
6-oxo-N-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
CID 5304884
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 114781333
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453662
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240

Frequently Asked Questions

What is the IUPAC name of (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide?
The IUPAC name of (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide (CID 95100483) is (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide.
What is the SMILES notation for (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide?
The canonical SMILES for (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide is C[C@@H]1CN(C(=S)NCc2cccs2)CC(C)(C)O1.
What is the InChIKey of (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide?
The InChIKey is UCVWPQXUJDUGRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-10-8-15(9-13(2,3)16-10)12(17)14-7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide?
(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide has a molecular weight of 284.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide is sourced from PubChem (CID 95100483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).