diiodo(dimorpholin-4-yl)-λ4-sulfane

C8H16I2N2O2S — CID 131966372

IUPACdiiodo(dimorpholin-4-yl)-λ4-sulfane
SMILESIS(I)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H16I2N2O2S/c9-15(10,11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2
InChIKeyWXHJLYPGCZAVPX-UHFFFAOYSA-N
MW458.10 g/mol
LogP1.99
Rot. Bonds2

About diiodo(dimorpholin-4-yl)-λ4-sulfane

diiodo(dimorpholin-4-yl)-λ4-sulfane (PubChem CID 131966372) has the molecular formula C8H16I2N2O2S and a molecular weight of 458.10 g/mol. Its IUPAC name is diiodo(dimorpholin-4-yl)-λ4-sulfane.

Molecular Properties

Compound Namediiodo(dimorpholin-4-yl)-λ4-sulfane
PubChem CID131966372
Molecular FormulaC8H16I2N2O2S
Molecular Weight458.10 g/mol
Exact Mass457.90
IUPAC Namediiodo(dimorpholin-4-yl)-λ4-sulfane
SMILESIS(I)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H16I2N2O2S/c9-15(10,11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2
InChIKeyWXHJLYPGCZAVPX-UHFFFAOYSA-N
XLogP1.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.10
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diiodo(dimorpholin-4-yl)-λ4-sulfane 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

trifluoro(morpholin-4-yl)-lambda4-sulfane
CID 2733258
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
N-bromomorpholine-4-sulfonamide
CID 117126249
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
lithium;4-methylmorpholine;chloride
CID 172748649
4-methylmorpholine;sulfuric acid
CID 146295231
morpholine;morpholine-4-sulfonyl chloride
CID 158164193
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
propan-2-yl morpholine-4-sulfonate
CID 58928705

Frequently Asked Questions

What is the IUPAC name of diiodo(dimorpholin-4-yl)-λ4-sulfane?
The IUPAC name of diiodo(dimorpholin-4-yl)-λ4-sulfane (CID 131966372) is diiodo(dimorpholin-4-yl)-λ4-sulfane.
What is the SMILES notation for diiodo(dimorpholin-4-yl)-λ4-sulfane?
The canonical SMILES for diiodo(dimorpholin-4-yl)-λ4-sulfane is IS(I)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of diiodo(dimorpholin-4-yl)-λ4-sulfane?
The InChIKey is WXHJLYPGCZAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2N2O2S/c9-15(10,11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2.
What are the key properties of diiodo(dimorpholin-4-yl)-λ4-sulfane?
diiodo(dimorpholin-4-yl)-λ4-sulfane has a molecular weight of 458.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo(dimorpholin-4-yl)-λ4-sulfane is sourced from PubChem (CID 131966372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).