azane;2-(dithiocarboxyamino)acetic acid

C3H11N3O2S2 — CID 15548800

IUPACazane;2-(dithiocarboxyamino)acetic acid
SMILESN.N.O=C(O)CNC(=S)S
InChIInChI=1S/C3H5NO2S2.2H3N/c5-2(6)1-4-3(7)8;;/h1H2,(H,5,6)(H2,4,7,8);2*1H3
InChIKeyUZPNESDFXPUUNX-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.20
Rot. Bonds2

About azane;2-(dithiocarboxyamino)acetic acid

azane;2-(dithiocarboxyamino)acetic acid (PubChem CID 15548800) has the molecular formula C3H11N3O2S2 and a molecular weight of 185.27 g/mol. Its IUPAC name is azane;2-(dithiocarboxyamino)acetic acid.

Molecular Properties

Compound Nameazane;2-(dithiocarboxyamino)acetic acid
PubChem CID15548800
Molecular FormulaC3H11N3O2S2
Molecular Weight185.27 g/mol
Exact Mass185.03
IUPAC Nameazane;2-(dithiocarboxyamino)acetic acid
SMILESN.N.O=C(O)CNC(=S)S
InChIInChI=1S/C3H5NO2S2.2H3N/c5-2(6)1-4-3(7)8;;/h1H2,(H,5,6)(H2,4,7,8);2*1H3
InChIKeyUZPNESDFXPUUNX-UHFFFAOYSA-N
XLogP0.20
TPSA119.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze azane;2-(dithiocarboxyamino)acetic acid 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-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
carbamothioic S-acid;2-(sulfanylcarbonylamino)acetic acid
CID 88510023
11-(dithiocarboxyamino)undecanoic acid
CID 87683137
20-(dithiocarboxyamino)icosanoic acid
CID 87684037
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
2-(carbamoylcarbamothioylamino)acetic acid
CID 21133377
2-(carbamoylamino)acetic acid
CID 87288569
4-(dithiocarboxyamino)but-2-enoic acid
CID 173366182
azane;2-hydroxyethylcarbamodithioic acid
CID 170844330
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-(3-sulfopropanethioylamino)acetic acid
CID 88674574
2-(carboxymethylamino)acetic acid
CID 8897

Frequently Asked Questions

What is the IUPAC name of azane;2-(dithiocarboxyamino)acetic acid?
The IUPAC name of azane;2-(dithiocarboxyamino)acetic acid (CID 15548800) is azane;2-(dithiocarboxyamino)acetic acid.
What is the SMILES notation for azane;2-(dithiocarboxyamino)acetic acid?
The canonical SMILES for azane;2-(dithiocarboxyamino)acetic acid is N.N.O=C(O)CNC(=S)S.
What is the InChIKey of azane;2-(dithiocarboxyamino)acetic acid?
The InChIKey is UZPNESDFXPUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S2.2H3N/c5-2(6)1-4-3(7)8;;/h1H2,(H,5,6)(H2,4,7,8);2*1H3.
What are the key properties of azane;2-(dithiocarboxyamino)acetic acid?
azane;2-(dithiocarboxyamino)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(dithiocarboxyamino)acetic acid is sourced from PubChem (CID 15548800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).