(2-sulfanylidene-1,3-diazinan-1-yl) acetate

C6H10N2O2S — CID 122591655

IUPAC(2-sulfanylidene-1,3-diazinan-1-yl) acetate
SMILESCC(=O)ON1CCCNC1=S
InChIInChI=1S/C6H10N2O2S/c1-5(9)10-8-4-2-3-7-6(8)11/h2-4H2,1H3,(H,7,11)
InChIKeyHGMAUJBWGDBADZ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.04
Rot. Bonds1

About (2-sulfanylidene-1,3-diazinan-1-yl) acetate

(2-sulfanylidene-1,3-diazinan-1-yl) acetate (PubChem CID 122591655) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (2-sulfanylidene-1,3-diazinan-1-yl) acetate.

Molecular Properties

Compound Name(2-sulfanylidene-1,3-diazinan-1-yl) acetate
PubChem CID122591655
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(2-sulfanylidene-1,3-diazinan-1-yl) acetate
SMILESCC(=O)ON1CCCNC1=S
InChIInChI=1S/C6H10N2O2S/c1-5(9)10-8-4-2-3-7-6(8)11/h2-4H2,1H3,(H,7,11)
InChIKeyHGMAUJBWGDBADZ-UHFFFAOYSA-N
XLogP0.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-sulfanylidene-1,3-diazinan-1-yl) acetate 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-sulfanylidenepiperidin-1-yl) acetate
CID 122591654
(2-sulfanylidene-1,3-thiazinan-3-yl) acetate
CID 122591661
1-ethoxyimidazolidine-2-thione
CID 150378710
piperazin-1-yl acetate
CID 54492305
azepan-1-yl acetate
CID 67537261
methyl 2-oxo-1,3-diazinane-1-carboxylate
CID 154375641
[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate
CID 21477553
1-methylimidazolidine-2-thione
CID 2733224
(2-methylimidazolidin-1-yl) acetate
CID 59912739
(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
CID 175211358
(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl) acetate
CID 141400367
1-ethyl-1,3-diazinan-2-one
CID 21479220

Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-1,3-diazinan-1-yl) acetate?
The IUPAC name of (2-sulfanylidene-1,3-diazinan-1-yl) acetate (CID 122591655) is (2-sulfanylidene-1,3-diazinan-1-yl) acetate.
What is the SMILES notation for (2-sulfanylidene-1,3-diazinan-1-yl) acetate?
The canonical SMILES for (2-sulfanylidene-1,3-diazinan-1-yl) acetate is CC(=O)ON1CCCNC1=S.
What is the InChIKey of (2-sulfanylidene-1,3-diazinan-1-yl) acetate?
The InChIKey is HGMAUJBWGDBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5(9)10-8-4-2-3-7-6(8)11/h2-4H2,1H3,(H,7,11).
What are the key properties of (2-sulfanylidene-1,3-diazinan-1-yl) acetate?
(2-sulfanylidene-1,3-diazinan-1-yl) acetate has a molecular weight of 174.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-1,3-diazinan-1-yl) acetate is sourced from PubChem (CID 122591655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).