N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide

C14H18N2O2S — CID 886437

IUPACN-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
SMILESC[C@H]1CN(C(=S)NC(=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19)/t10-,11-/m0/s1
InChIKeyCPWDRGYZLFDKIL-QWRGUYRKSA-N
MW278.38 g/mol
LogP1.81
Rot. Bonds1

About N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide

N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide (PubChem CID 886437) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide.

Molecular Properties

Compound NameN-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
PubChem CID886437
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
SMILESC[C@H]1CN(C(=S)NC(=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19)/t10-,11-/m0/s1
InChIKeyCPWDRGYZLFDKIL-QWRGUYRKSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.81
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

2-chloro-N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 695632
N-[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]-2-fluorobenzamide
CID 895687
N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-3-nitrobenzamide
CID 2250350
N-(2,6-dimethylmorpholine-4-carbothioyl)-1,3-benzodioxole-5-carboxamide
CID 18823179
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-3,4-dimethoxybenzamide
CID 1242393
N-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6560976
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-[(3R)-3-methoxypyrrolidine-1-carbothioyl]benzamide
CID 89026061
N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2790304
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33103822
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide?
The IUPAC name of N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide (CID 886437) is N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide.
What is the SMILES notation for N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide?
The canonical SMILES for N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide is C[C@H]1CN(C(=S)NC(=O)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide?
The InChIKey is CPWDRGYZLFDKIL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19)/t10-,11-/m0/s1.
What are the key properties of N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide?
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide has a molecular weight of 278.38 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide is sourced from PubChem (CID 886437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).