(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione

C26H30N2O2S4 — CID 139058221

IUPAC(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione
SMILESCC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S.CC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S
InChIInChI=1S/2C13H15NOS2/c2*1-13(2)12(17)15-10(11(16)14-13)8-9-6-4-3-5-7-9/h2*3-7,10H,8H2,1-2H3,(H,14,16)/t2*10-/m11/s1
InChIKeyRTNIJYWHBJXJKM-IMUCLEIGSA-N
MW530.81 g/mol
LogP5.30
Rot. Bonds4

About (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione

(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione (PubChem CID 139058221) has the molecular formula C26H30N2O2S4 and a molecular weight of 530.81 g/mol. Its IUPAC name is (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione.

Molecular Properties

Compound Name(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione
PubChem CID139058221
Molecular FormulaC26H30N2O2S4
Molecular Weight530.81 g/mol
Exact Mass530.12
IUPAC Name(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione
SMILESCC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S.CC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S
InChIInChI=1S/2C13H15NOS2/c2*1-13(2)12(17)15-10(11(16)14-13)8-9-6-4-3-5-7-9/h2*3-7,10H,8H2,1-2H3,(H,14,16)/t2*10-/m11/s1
InChIKeyRTNIJYWHBJXJKM-IMUCLEIGSA-N
XLogP5.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.81
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4H-1,4-benzoxazine-3-thione
CID 21256531
(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
CID 139058219
3-benzyl-6-methyl-1,4-dioxane-2,5-dione
CID 23504963
(3S,5S)-5-benzyl-3-methyl-3-prop-2-enyloxolane-2,4-dione
CID 14636618
3-benzyl-2,3-dihydroisoindole-1-thione
CID 102444640
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
2-benzyl-4,4-dimethyloxolane
CID 102308399
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
4,6-dibenzyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 20718104
6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
CID 4967811

Frequently Asked Questions

What is the IUPAC name of (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione?
The IUPAC name of (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione (CID 139058221) is (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione.
What is the SMILES notation for (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione?
The canonical SMILES for (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione is CC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S.CC1(C)NC(=S)[C@@H](Cc2ccccc2)OC1=S.
What is the InChIKey of (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione?
The InChIKey is RTNIJYWHBJXJKM-IMUCLEIGSA-N. The full InChI is InChI=1S/2C13H15NOS2/c2*1-13(2)12(17)15-10(11(16)14-13)8-9-6-4-3-5-7-9/h2*3-7,10H,8H2,1-2H3,(H,14,16)/t2*10-/m11/s1.
What are the key properties of (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione?
(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione has a molecular weight of 530.81 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione is sourced from PubChem (CID 139058221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).