dimorpholin-4-ylmethanethione

C9H16N2O2S — CID 3009846

IUPACdimorpholin-4-ylmethanethione
SMILESS=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c14-9(10-1-5-12-6-2-10)11-3-7-13-8-4-11/h1-8H2
InChIKeyAZHGSCTWVDLDLP-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.06
Rot. Bonds

About dimorpholin-4-ylmethanethione

dimorpholin-4-ylmethanethione (PubChem CID 3009846) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is dimorpholin-4-ylmethanethione.

Molecular Properties

Compound Namedimorpholin-4-ylmethanethione
PubChem CID3009846
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namedimorpholin-4-ylmethanethione
SMILESS=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c14-9(10-1-5-12-6-2-10)11-3-7-13-8-4-11/h1-8H2
InChIKeyAZHGSCTWVDLDLP-UHFFFAOYSA-N
XLogP-0.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(morpholinothiocarbonyl) disulfide
CID 12892
Otos
CID 83700
Dimorpholinomethane
CID 21839
1,3-Bis-morpholin-4-ylmethyl-imidazolidine-2-thione
CID 240912
Morpholine, 4,4',4''-methylidynetris-
CID 818238
1,3-Bis(morpholin-4-ylmethyl)thiourea
CID 3454724
Mercury, bis(4-morpholinecarbodithioato-S,S')-, (T-4)-
CID 203136
Bis(morpholine-4-carbothioylsulfanyl)nickel
CID 3330581
Bismorpholinoethane
CID 15930829
N-(morpholine-4-carbothioyl)morpholine-4-carbothioamide
CID 20321644
Dimorpholinodiethylether
CID 21889110
4-(2-Ethoxy-1-morpholin-4-ylethyl)morpholine
CID 22708479

Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-ylmethanethione?
The IUPAC name of dimorpholin-4-ylmethanethione (CID 3009846) is dimorpholin-4-ylmethanethione.
What is the SMILES notation for dimorpholin-4-ylmethanethione?
The canonical SMILES for dimorpholin-4-ylmethanethione is S=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-ylmethanethione?
The InChIKey is AZHGSCTWVDLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c14-9(10-1-5-12-6-2-10)11-3-7-13-8-4-11/h1-8H2.
What are the key properties of dimorpholin-4-ylmethanethione?
dimorpholin-4-ylmethanethione has a molecular weight of 216.31 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylmethanethione is sourced from PubChem (CID 3009846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).