amino(selanyl)carbamic acid;(methyldisulfanyl)methane

C3H10N2O2S2Se — CID 174438473

IUPACamino(selanyl)carbamic acid;(methyldisulfanyl)methane
SMILESCSSC.NN([SeH])C(=O)O
InChIInChI=1S/C2H6S2.CH4N2O2Se/c1-3-4-2;2-3(6)1(4)5/h1-2H3;6H,2H2,(H,4,5)
InChIKeyOVVCSYQXMCDLOU-UHFFFAOYSA-N
MW249.22 g/mol
LogP0.28
Rot. Bonds1

About amino(selanyl)carbamic acid;(methyldisulfanyl)methane

amino(selanyl)carbamic acid;(methyldisulfanyl)methane (PubChem CID 174438473) has the molecular formula C3H10N2O2S2Se and a molecular weight of 249.22 g/mol. Its IUPAC name is amino(selanyl)carbamic acid;(methyldisulfanyl)methane.

Molecular Properties

Compound Nameamino(selanyl)carbamic acid;(methyldisulfanyl)methane
PubChem CID174438473
Molecular FormulaC3H10N2O2S2Se
Molecular Weight249.22 g/mol
Exact Mass249.93
IUPAC Nameamino(selanyl)carbamic acid;(methyldisulfanyl)methane
SMILESCSSC.NN([SeH])C(=O)O
InChIInChI=1S/C2H6S2.CH4N2O2Se/c1-3-4-2;2-3(6)1(4)5/h1-2H3;6H,2H2,(H,4,5)
InChIKeyOVVCSYQXMCDLOU-UHFFFAOYSA-N
XLogP0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino(selanyl)carbamic acid;(methyldisulfanyl)methane 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

Amino(stibanyl)carbamic acid;(methyldisulfanyl)methane
CID 174393113
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;selane
CID 174438476

Frequently Asked Questions

What is the IUPAC name of amino(selanyl)carbamic acid;(methyldisulfanyl)methane?
The IUPAC name of amino(selanyl)carbamic acid;(methyldisulfanyl)methane (CID 174438473) is amino(selanyl)carbamic acid;(methyldisulfanyl)methane.
What is the SMILES notation for amino(selanyl)carbamic acid;(methyldisulfanyl)methane?
The canonical SMILES for amino(selanyl)carbamic acid;(methyldisulfanyl)methane is CSSC.NN([SeH])C(=O)O.
What is the InChIKey of amino(selanyl)carbamic acid;(methyldisulfanyl)methane?
The InChIKey is OVVCSYQXMCDLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.CH4N2O2Se/c1-3-4-2;2-3(6)1(4)5/h1-2H3;6H,2H2,(H,4,5).
What are the key properties of amino(selanyl)carbamic acid;(methyldisulfanyl)methane?
amino(selanyl)carbamic acid;(methyldisulfanyl)methane has a molecular weight of 249.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(selanyl)carbamic acid;(methyldisulfanyl)methane is sourced from PubChem (CID 174438473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).