[(carboxyamino)disulfanyl]carbamic acid

C2H4N2O4S2 — CID 18413635

IUPAC[(carboxyamino)disulfanyl]carbamic acid
SMILESO=C(O)NSSNC(=O)O
InChIInChI=1S/C2H4N2O4S2/c5-1(6)3-9-10-4-2(7)8/h3-4H,(H,5,6)(H,7,8)
InChIKeySANIQMPLJULVNX-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.73
Rot. Bonds3

About [(carboxyamino)disulfanyl]carbamic acid

[(carboxyamino)disulfanyl]carbamic acid (PubChem CID 18413635) has the molecular formula C2H4N2O4S2 and a molecular weight of 184.20 g/mol. Its IUPAC name is [(carboxyamino)disulfanyl]carbamic acid.

Molecular Properties

Compound Name[(carboxyamino)disulfanyl]carbamic acid
PubChem CID18413635
Molecular FormulaC2H4N2O4S2
Molecular Weight184.20 g/mol
Exact Mass183.96
IUPAC Name[(carboxyamino)disulfanyl]carbamic acid
SMILESO=C(O)NSSNC(=O)O
InChIInChI=1S/C2H4N2O4S2/c5-1(6)3-9-10-4-2(7)8/h3-4H,(H,5,6)(H,7,8)
InChIKeySANIQMPLJULVNX-UHFFFAOYSA-N
XLogP0.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(carboxyamino)disulfanyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(carboxyamino)disulfanyl]carbamic acid?
The IUPAC name of [(carboxyamino)disulfanyl]carbamic acid (CID 18413635) is [(carboxyamino)disulfanyl]carbamic acid.
What is the SMILES notation for [(carboxyamino)disulfanyl]carbamic acid?
The canonical SMILES for [(carboxyamino)disulfanyl]carbamic acid is O=C(O)NSSNC(=O)O.
What is the InChIKey of [(carboxyamino)disulfanyl]carbamic acid?
The InChIKey is SANIQMPLJULVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4S2/c5-1(6)3-9-10-4-2(7)8/h3-4H,(H,5,6)(H,7,8).
What are the key properties of [(carboxyamino)disulfanyl]carbamic acid?
[(carboxyamino)disulfanyl]carbamic acid has a molecular weight of 184.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(carboxyamino)disulfanyl]carbamic acid is sourced from PubChem (CID 18413635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).